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Past Events

An asterisk (*) indicates an MCC-sponsored event.

Lectures and Talks (59)
MCC Visitors (55)
Conferences, Workshops, and Summer Schools (348)

Lectures and Talks

Wednesday, February 6, 2008 Quantum coherence and energy transfer: Quantum dot arrays and photosynthetic complexes*

Location: 1003 MRL, 11:00 am
Presenter(s): Alan Aspuru-Guzik,Assistant Professor, Department of Chemistry and Chemical Biology, Harvard University
Contact: Amy Young
Description: Our research group is interested in theoretical engineering and design of novel organic and nano-organic photovoltaic devices. In this talk, I will discuss a novel approach to understand the role of quantum coherence in excitonic energy transfer of biological systems. The interplay of quantum coherence and decoherence can be employed to direct energy transfer. I will talk about how to apply these concepts to quantum dot arrays and explore the potential use of these excitonic engineering techniques for solar cells and quantum information.

Thursday, October 18, 2007 Nanoscience and Computer Science in Costa Rica: the National Initiative, Projects and Possible Collaborations*

Location: 201 MRL, 1:00 pm
Presenter(s): Santiago Nunez-Corrales, National Collaboratorium for Advanced Computing and National Center for Advanced Technology Studies
Contact: Jeongnim Kim, jnkim --> uiuc.edu
Description: During the last decade nanotechnology has shown a constant growth in both theory and applications, becoming a leading edge area and a strategic component for economic development. Costa Rica has committed to forge a national space for nanotechnology and nanoscience through CeNAT by strengthening collaborations with local and international partners, building an increasingly strong research facility (LANOTEC, Nanotechnology Laboratory) and developing projects that tackle basic and applied problems within the field. Current projects tie experimental approaches with high performance computing simulations as well as statistical and mathematical modeling of nanoscale events. The four main areas of work are (a) micro and nanoscale devices, (b) surface modification of materials (c) characterization and production of nanostructures (d) integration of a computational simulation and optimization platform for research in nanoscience and nanotechnology. A detailed description of the architecture and goals of the computational platform is given as well as links for collaborations on the intersections with projects developed by MCC at NCSA as the OHMMS package and other points of interest.

Thursday, September 27, 2007 Atomistic theory of the electronic and optical properties of self-assembled quantum dots*

Organization: University of Illinois at Urbana-Champaign
Location: Room 280 MRL Materials Research Lab, 1:00 pm
Contact: Jean-Pierre Leburton, leburton@ceg.uiuc.edu
Description: A multiband microscopic theory of many-exciton complexes in self assembledquantum dots is presented. The single particle states are obtained bythree methods: single-band effective-mass approximation, the multiband kpmethod, and the tight-binding method. The electronic structure calculations are coupled with strain calculations via Bir-Pikus Hamiltonian. The many-body wave functions of N electrons and N valence holes are expanded in the basis of Slater determinants. The Coulomb matrix elements are evaluated using statically screened interaction for the three different sets of single particle states and the correlated N-exciton states are obtained by the configuration interaction method. The results of the single-band effective-mass approximation are successfully compared with those obtained by using the of kp and tight-binding methods. The theory is applied to the study of the electronic structure and optical properties of a single InAs quantum dot grown on InP patterned substrate. The effect of positioning of quantum dots using a nanotemplate on their optical spectra is determined by a comparison with dots on unpatterned substrates, and with experimental results.

Thursday, January 25, 2007 Google’s PageRank and Beyond: The Science of Search Engine Rankings*

Location: Room 126 Graduate School of Library and Information Science, 12:00 pm
Presenter(s): Professor Amy Langville, College of Charleston, South Carolina
Contact: Amy Young, amyoung --> uiuc.edu, (217) 333 - 0512
Description: Amy Langville is co-author of "Google’s PageRank and Beyond: The Science of Search Engine Rankings" (May 2006, Princeton University Press), the first book ever about the science of Web page rankings. The book serves two very different audiences: the curious science reader and the technical computational reader. This brownbag will cover topics of interest to webmasters, and answer such questions as: Why doesn’t your home page appear on the first page of search results, even when you query your own name? How do other Web pages always appear at the top? What creates these rankings? And how? How do search engines make money? How does the Great Firewall of China influence research? Amy is Assistant Professor of Mathematics at the College of Charleston. She studies mathematical algorithms for information retrieval and text and data mining applications. This brownbag is sponsored by the Materials Computation Center, and Women in Computer Science, and CITES (UIUC).

Thursday, January 25, 2007 Algorithms behind search engines*

Location: Room 2405 Siebel Center, 201 North Goodwin Ave., Urbana, 7:00 pm
Presenter(s): Professor Amy Langville, College of Charleston, South Carolina
Contact: Amy Young, amyoung --> uiuc.edu, (217) 333 - 0512
Description: Amy Langville is co-author of "Google’s PageRank and Beyond: The Science of Search Engine Rankings". Amy will present at the Women in Computer Science general meeting on the topic of algorithms behind search engines. This talk is suitable for someone interested in applied math and CS topics, or for someone building their own search engine. This presentation is sponsored by the Materials Computation Center. Women in Computer Science, and CITES (UIUC).

Friday, December 8, 2006 Multiscale modeling of Defect Mechanisms in Materials for Nuclear Energy Applications*

Location: Room 280 MRL, 2:30 pm
Presenter(s): Dr. Chaitanya S. Deo, Los Alamos National Laboratory
Contact: Dallas Trinkle, dtrinkle --> uiuc.edu
Description: The key to developing advanced materials for nuclear applications is in understanding the interplay between the various physical scales present, from atomic level interactions, to microstructural composition and macroscale behavior. Defect mechanisms at the atomic scale determine the microstructure and ultimately, a whole host of macroscopic properties, including radiation resistance, strength, ductility, toughness, thermal conductivity etc. This talk focuses on the mechanics and kinetic properties of point defects (vacancies, interstitials, external atoms, voids) and line defects (dislocations) in materials used for nuclear applications. Computational algorithms and techniques including Monte Carlo, molecular dynamics and linear elasticity are used to connect nanoscale defect mechanisms to their macroscopic manifestations. I examine how defects behave in nuclear fuel (hyperstoichiometric uranium dioxide) and structural materials (iron and ferritic steels) under ambient and radiation damage environments, such as those present in a nuclear reactor. In the case of nuclear fuel, oxygen interstitial migration in hyperstoichiometric UO2 is investigated using kinetic Monte Carlo and accelerated dynamics techniques. Diffusivity of oxygen interstitials is calculated as a function of temperature and non-stoichiometry and compared to experimental data. In the case of structural materials, namely ferritic steels, hierarchical modeling techniques are employed to ultimately predict yield stress dependence on irradiation dose. Irradiation creates damage, in the form of interstitials and vacancies, and may create transmutation gases such as helium and hydrogen. The results of molecular dynamics and Monte Carlo simulations suggest that extrinsic gas atoms such as helium stabilize voids into bubbles that may precipitate fracture of structural materials in radiation environments. The interactions of clusters and bubbles with dislocations influence mechanical properties such as work hardening, flow stress and yield stress under ambient and radiation environments. Results from the MD/KMC simulations are used to parameterize an irradiation hardening model within the framework of a viscoplastic self consistent code (VPSC) which simulates the plastic deformation of polycrystalline aggregates subjected to external strains and stresses. The stress dependence on irradiation dose is calculated and compared to experimental data obtained following high energy radiation damage in T91 (ferritic) steel.

Friday, November 3, 2006 High Pressure Physics of Correlated Materials: Experiment and Theory at LLNL and UCD on Gd and MnO*

Location: 280 MRL, 3:00 pm
Presenter(s): Professor Warren Pickett, University of California - Davis
Contact: Richard Martin
Notes: This is a joint MCC and PGSA Graduate Student Colloquium.

Wednesday, November 1, 2006 Treating Manybody Polarization and Manybody Dispersion in Complex Systems: The Quantum Drude Oscillator Formalism*

Location: 3269 Beckman Institute, 11:00 am
Presenter(s): Dr. Glenn Martyna, IBM TJ Watson Laboratory, Yorktown Heights, New York
Contact: Joyce Lucas, joyce --> ks.uiuc.edu
Description: There are many physical systems where the nonpairwise additive nature of polarization and dispersion interactions becomes very important, in particular, the complex heterogeneous systems of interest in chemistry, biology and physics. For example, the dipole moment of water changes from 1.85 Debye in the gas phase to approximately 3 Debye in the bulk liquid and attains intermediate values at hydrophobic interfaces due to manybody polarization. Similarly, although the bulk properties of hydrophobic fluids can be modeled using a pair potential, this underestimates the surface tension by 30% due to manybody dispersion interactions. In order to model both the full manybody polarization and dispersion interactions in atomic and molecule systems, a system of quanized Drude oscillators is introduced and a O(N) simulation method based on quantum path integrals described. Application to liquid xenon is given.
Notes: This seminar is supported by the Theoretical and Computational Biophysics Group at Beckman Institute and the Materials Computation Center.

Friday, September 15, 2006 Simulation of unconventional electronic phases by Quantum Monte Carlo*

Presenter(s): Sandro Sorella, SISSA/ISAS, Trieste Italy
Contact: Michele Casula, casula --> express.cites.uiuc.edu
Description: We discuss several examples where QMC can describe genuine new phases of matter, that are not described by any weak coupling mean field theory. Examples are d-wave superconductivity in repulsive models, Mott insulating physics and spin liquid behavior in frustrated spin models. In all these cases Quantum Monte Carlo allows to describe faithfully the electron correlation. This is achieved by first optimizing the energy of an highly correlated many-body wave function. The stability of various new phases of matter obtained with the variational approach is then tested by applying the Diffusion Monte Carlo (DMC) projection technique to the exact ground state.[2] Due to very important advances[3] in the energy optimization of strongly correlated variational wave functions, recently it has been possible to perform with this approach a realistic and accurate simulation of aromatic compounds[4], where the major role of the correlation comes from the Resonating Valence Bond character describing the Benzene ring[3,4]. [1] M. Casula, C. Attaccalite and S. Sorella J. Chem. Phys. \bf 121 7110 (2004). [2] see e.g. M. Casula, C. Filippi, and S. Sorella, Phys. Rev. Lett. Phys. Rev. Letters, \bf 95, 100201 (2005), for a recent extension of DMC. [3] S. Sorella, Phys. Rev. B 71, 241103 (2005), see also C. J. Umrigar and C. Filippi PRL 94, 150201 (2005). [4] M. Casula, D. Rocca, and S. Sorella in preparation.
Notes: This talk is jointly sponsored by the Physics Department and the MCC.

Wednesday, September 6, 2006 Determination of intrinsicswitching field distributions inperpendicular recording media*

Location: Room 280 MRL, 10:00 am
Presenter(s): Dr. Andreas Berger, Hitachi Global StorageTechnologies, San Jose Research Center, CA
Contact: Karin Dahmen, dahmen --> uiuc.edu
Description: In perpendicular magnetic recording, one of the most crucialproperties defining the quality of a recording media is the intrinsic switchingfield distribution D(HS) of the media grains [1]. This property, which is mostlyimpacted by the anisotropy field HK and orientation distributions of the media grains, is so important, because it limits the definition of the recordedtransitions in a bit pattern. Thus, it is ultimately responsible for theachievable recording density [2]. Hereby, it is important to realize that it isnot the macroscopic switching field distribution Dm(HS) in a uniformly applied field that is relevant, but the local distribution Dl(HS) of switchingfields in a recording process, which takes place in a narrowly defined fieldgeometry. We have developed a magnetometry method for the experimentalcharacterization of D(HS) in perpendicular media and studied its reliabilityand precision by means of experiments and micromagnetic simulations [3,4].The method is based upon a comparison between the major loop and a set of recoil loops, which start at a certain distance _M away from saturation. Inparticular, we measure the applied field difference _H between the variousrecoil loops and the major loop for identical M-values, i.e. the same averagedemagnetizing fields. By analyzing complete _H(M,_M)-data sets from multiple recoil loops, we gain a refined measure of the entire switching fielddistribution D(HS) [4]. Such detailed knowledge of D(HS) is very important,because key media characteristics are defined by the tails of the switchingfield distribution rather than its center. For instance, it is the high-end tail of D(HS) that contributes most to the overwrite value of recording media andthe overall reliability of repeated recording.

Thursday, March 9, 2006 The role of first principles calculations in multiscale simulations of iron under irradiation*

Location: 280 MRL, 1:00 pm
Presenter(s): Francois Willaime, Service de Recherches de Metallurgie Physique, CEA/Saclay, France
Contact: Pascal Bellon, bellon@uiuc.edu
Description: Changes in microstructure and mechanical properties of materials under or after irradiation are governed by the kinetics of defects produced by irradiation. Performing a predictive simulation of these complex phenomena requires a multi-scale approach, where the atomistic properties of defects are determined by first principles calculations and then used as input data for kinetic simulations covering macroscoping time and length scales. The recent advances obtained in iron will be presented. Efficient DFT-GGA codes, like the SIESTA code based on localised basis sets used in this study, now allow performing almost routinely calculations on systems which are large enough (up to 250 atoms here) to study the structure and migration mechanism of small defect clusters. The properties of interstitial- and vacancy-clusters with up to four defects have thus been determined. At variance with previous predictions based on empirical potentials, we find that interstitial clusters, with up to three interstitials, are made of <110>dumbbells and migrate by a three dimensional mechanism with a migration energy of 0.3-to-0.4 eV and not by fast one dimensional glides. Unexpected results are also found for vacancy-clusters: the tri- and quadri-vacancies are found to have lower migration energies than the mono-vacancy. The defect population evolution upon isochronal annealing after electron irradiation has then been determined by Kinetic Monte Carlo. A very conclusive agreement with experiments is obtained. Other examples of defect-complexes involving carbon (for steels) and helium (for fusion-reactor materials) will be shown. Empirical potentials are still necessary for larger scale atomistic simulations; their improvement by including first-principles results on defect properties in the database of the fit will be described.

Thursday, December 15, 2005 Statistical Physics of Fracture*

Location: 201 MRL, 1:30 pm
Presenter(s): Phani Kumar V.V. Nukala (Computer Science and Mathematics Division, Oak Ridge National Laboratory)
Contact: Eric de Sturler, sturler@cs.uiuc.edu
Description: Using large scale numerical simulations and extensive statistical sampling, we consider the statistical properties of fracture in two- and three-dimensional discrete lattice models, in particular, the random fuse model. Computational modeling of fracture in disordered (heterogeneous) media using discrete lattice models is often limited to small system sizes due to high computational cost involved in re-solving the governing system of equations every time a new lattice bond is broken. For two-dimensional simulations, we use an efficient algorithm based on multiple-rank sparse Cholesky downdating scheme. Based on the proposed algorithm, we present simulation results for large 2D lattice systems (e.g., L 1024). For large-scale 3D discrete lattice simulations, we adopt an iterative scheme using block-circulant preconditioner. Based on these simulations with strong disorder, we analyze important statistical properties of fracture; namely, damage localization and its deviation from percolation behavior, scaling laws for damage density, avalanche precursors, universality of fracture strength distribution, size effect on the mean fracture strength, and finally the scaling of crack surface roughness. Acknowledgments This research is sponsored by the Mathematical, Information and Computational Sciences Division, Office of Advanced Scientific Computing Research, U.S. Department of Energy under contract number DE-AC05-00OR22725 with UT-Battelle, LLC.

Monday, December 12, 2005 Kinetics and thermodynamics of hydrides for reversible hydrogen storage*

Location: 280 MRL, 1:30 pm
Presenter(s): Roland Stumpf, Materials Physics, Sandia National Labs
Contact: Duane D. Johnson, duanej@uiuc.edu
Description: Hydrogen is considered by many as the transportation fuel of the future. Hydrogen storage is maybe the main challenge to make this vision a reality. One way to store hydrogen is in reversible hydrides. These are considered competitive with gasoline if they hold about 10 weight % hydrogen that can be released at about 100 C and re-absorbed within 5 minutes at pressures below 100 bar. I will show how first principles electronic structure theory can aid in discovering new hydrides with high H content and a thermodynamic stability compatible with the quoted temperature and pressure range. The screening of hydrides starts with a choice of a stoichiometry and a set of compatible trial structures from the ICSD crystallographic database. These structures are then relaxed and their temperature dependent free energy is calculated within DFT/GGA and the harmonic approximation. I will discuss what to do when the harmonic approximation fails and how the theoretical results compare with experiment. This approach identifies two promising hydrides, MgB2H8 and CaB2H8. The second part of the talk will cover theoretical and some experimental result suggesting a surface mechanism for Ti activation of H sorption in NaAlH4. The field of using complex simple metal hydrides for hydrogen storage got started ten years ago when it was discovered that small amounts of transition metals, especially Ti, made the H desorption from NaAlH4 reversible. I propose that a H stabilized Ti-Al near surface alloy at the ubiquitous Al phase lowers the barriers for H2 dissociation and recombination, which is the rate limiting step in H2 sorption at NaAlH4.

Wednesday, November 9, 2005 Numerical methods (and some analysis) for material science applications*

Location: 2240 DCL, 3:00 pm
Presenter(s): Dr. Richard B. Lehoucq, Sandia National Laboratories
Contact: Eric de Sturler, sturler@cs.uiuc.edu, (217) 244-6720
Description: My presentation provides an overview of preliminary work in collaboration with the multiscale computational materials methods department at Sandia National Labs. This work includes electronic structure computations, multilevel methods for molecular dynamics and an analysis of atomistic-to-continuum coupling schemes.

Monday, October 24, 2005 Excited states in semiconductors and insulators: ab inito quasiparticle bandstructures of II-VI compounds, group-III-nitrides and high-k dielectrics*

Location: 3110 Engineering Sciences Building, 1:00 pm
Presenter(s): Dr. Patrick Rinke, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
Contact: Kris Delauney, kdelaney --> uiuc.edu
Description: Photo-electron spectroscopy has developed into an invaluable experimental tool for the study of electron excitations in bulk solids and surfaces. The success of photoemission spectroscopy (PES) and its inverse counterpart (IPES) owes much to the interpretation of the photo-electron spectra in terms of single-particle excitations or quasiparticles. For solids Hedins GW approximation, where G refers to the Greens function and W to the dynamically screened Coulomb interaction, has become the method of choice for an ab initio calculation of the quasiparticle energy spectrum. GW is typically applied as a perturbation to density-functional theory (DFT) in the local-density approximation (LDA), however, for systems with semicore d-electrons for instance this approach proves to be problematic if pseudopotentials are used. In this work we therefore combine GW with DFT in the exact-exchange (EXX) approach and present a systematic ab initio study of the electronic structure of selected II-VI compounds and group III nitrides, which are important materials for the optical industry. We show that EXX gives an improved description of the d-electron hybridization compared to the LDA. Moreover, we find that it is essential to use EXX pseudopotentials [1] in order to treat core-valence exchange consistently. In combination with GW we achieve very good agreement with available photoemission data. Since the DFT energies and wavefunctions serve as input for the GW calculation we conclude that for these materials EXX constitutes the better starting point [2]. [1] M. Moukara, M. Staedele, J.A. Majewski, P. Vogl, and A Goerling, J. Phys.: Condens. Matter 12, 6783 (2000). [2] P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. 7, 126 (2005).

Tuesday, August 30, 2005 Current technical issues for vertical quantum dot devices

Location: 3110 ESB, 1:30 pm
Presenter(s): D.G. Austing, NRC, Ottawa, Canada
Contact: J.-P. Leburton
Description: I will explore a number of relevant experimental issues concerning vertical quantum dot structures. These include: 1. Ground and excited states in circular and non-circular single dot mesa structures. 2. 0D-0D resonant tunneling in weakly vertically coupled double quantum dot structures. 3. Triple quantum well structures for possible investigation into super-exchange. 4. Progress report on laterally coupled vertical quantum dots.

Thursday, April 21, 2005 Modeling in the Middle: Design of Competent and Efficient EvolutionaryAlgorithm

Location: 280 Materials Research Laboratory, Urbana, 12:00 pm
Presenter(s): Kumara Sastry, Illinois Genetic Algorithms Laboratory, Department of Materials Science and Engineering UIUC
Description: Genetic and evolutionary algorithms are complex conceptual machines which have been effectively used to solve complex search and optimization problem across a broad spectrum of areas. Traditionally, practitioners have often used ad-hoc methods to develop operators and to set parameters of evolutionary algorithms. On the other hand theoreticians develop exact and accurate models of genetic algorithms which are often opaque and does not avail themselves for scalable aglorithm design. In contrast, an engineering approach of using principles of design decomposition, facetwise and dimensional models is very useful in not only understanding the scalablity, but also in the design of scalable evolutionary algorithms. I’ll illustrate this modelling-in-the-middle approach for predicting the scalability and parameter setting of evolutionary algorithms with particular application to multiscale modeling in materials science and excitation chemistry.

Monday, April 4, 2005 Towards materials specific simulations of high temperature superconductors*

Location: 280 MRL, 12:00 pm
Presenter(s): Paul R. C. Kent / University of Cincinnati
Contact: Richard Martin, rmartin@uiuc.edu
Description: Since the discovery of high temperature superconductivity in the cuprates there has been a constant stream of new experimental and theoretical papers. However, although these materials are entering industrial use, the mechanism of superconductivity in these materials remains elusive. In this talk I shall first give an overview of these materials, and then discuss progress in simulating these "strongly correlated" materials computationally using "LDA+" techniques such a LDA+DCA. Cluster-based theories such as the dynamic cluster approximation (DCA) have recently predicted phase diagrams close to those seen in experiment for the Hubbard model, but require parameters for the underlying Hamiltonian. I will give an overview of the challenges involved in obtaining parameters from density functional theory for these simulations and present results for the parameter dependence of the superconducting transition temperature for realistic models of the cuprates.

Monday-Friday, February 14-25, 2005 36th Spring School 2005: Magnetism goes Nano (Electron Correlation, Spin Transport, Molecular Magnetism)

Location

Juelich, Germany

Contact

Stefan Bluegel, [+49]-2461-61-4249

Register before

Friday, December 3, 2004

Registration cost

320.00 euro

Description

The Forschungszentrum Juelich has a long tradition in organizing these spring schools, which covered over the years a large spectrum of active subjects in condensed matter research. The lecture focus particularly on students and PhD students in physics and related areas, such as chemistry and material science.

There is no conference fee and the book which goes with the lectures is free of charge. Low-cost accomodation has been arranged at the youth hostel in Aachen.

Note: with support of an NSF grant, the MCC offers assistance with travel funds for this event. See http://www.mcc.uiuc.edu/travel for details.

Monday, December 6, 2004 Dielectric Properties of Semiconductors by TDDFT*

Location

3110 ESB, 10:00 am

Presenter(s)

Nobuhiko Akino, Sumitomo Chemical Company

Abstract

Time-dependent density-functional theory (TDDFT) has applied to the dielectric responses of the semiconductors such as C, Ge, Si, and AlGaAs. In our study, the real-space grid representation is used for the electron wavefunctions. In the calculations of the dielectric responses, the real-time approach is employed where we follow the linear responses of the systems under externally applied perturbations in the real time. Both the static and dynamic dielectric functions are calculated. Especially, the static dielectric constants E(0) are good agreement with the experimental values. The effect of components in the compound semiconductor AlGaAs including AlAs and GaAs is also studied and we have found that the static dielectric function reflects the energy band separation.

If time permits, Dr. Akino will also cover "Study of PLED by TDDFT and Device Simulation"

Polymer light emitting diodes (PLEDs) have been of interest for displays and other lighting applications. The low cost and the ease of processing are the advantages of the conjugated polymers over the inorganic materials and the low molecules as the former can be deposited by spin-coating over large area. Moreover, the color tuning and efficiency are considered to be controlled by the manipulation of the molecular structures. These make the conjugated polymers good candidates in the LEDs and other applications.

The simplest PLED consists of the polymer layer sandwiched between the cathode and the anode. The radiative recombination of the injected electrons and holes in the polymer layer results in the emission of light. The emission spectrum is determined by the nature of polymer and the device optimization requires us to understand the fundamental physics of the charge injection, transport, and recombination. Thus, it is essential to study from both the material design and the device optimization to achieve better LEDs.

We have studied the spectra of the polymers by the time dependent density functional theory (TDDFT) in the real space and the real time formulation. Since a real polymer is too large to handle, we have performed the calculations of the oligmers with different length and attempted to extrapolate the properties in the polymer. For the PLED device, we have also performed the device simulation based on the band model, from which we are able to obtain the information such as the carrier density inside the device.

Thursday, December 2, 2004 Finite-Element Method for Large-Scale Ab Initio Electronic-Structure Calculations -- Informal Discussion*

Location: 3110 ESB, 10:00 am
Presenter(s): Dr. John E. Pask, Lawrence Livermore National Laboratory, University of California, Livermore, CA
Contact: Jeongnim Kim

Wednesday, December 1, 2004 Finite-Element Method for Large-Scale Ab Initio Electronic-Structure Calculations*

Location: 5307 Beckman Institute, 2:00 pm
Presenter(s): Dr. John E. Pask, Lawrence Livermore National Laboratory, University of California, Livermore, CA
Contact: Jeongnim Kim
Description: Over the course of the past two decades, density functional theory (DFT) has proven to be an accurate and reliable basis for the understanding and prediction of a wide variety of materials properties from first principles (ab initio). However, the solution of the equations of DFT remains a formidable task and this has limited the range of materials problems which can be investigated by such means. In this talk, I discuss work on a new finite-element based method for large-scale ab initio electronic-structure calculations, with the goal of extending the range of materials systems that can be investigated by such rigorous, quantum mechanical means. The finite-element method is a general approach for the solution of partial differential and integral equations. Like the traditional planewave method which uses a Fourier basis, the finite-element method is a systematically improvable, variational expansion approach. Unlike the planewave method, however, its basis functions are strictly local in real space; and it is from this that the flexibility and scalability of the method derives. We discuss our work on a general finite-element based electronic-structure method, allowing Bloch-periodic, Dirichlet, and Neumann boundary conditions, or any mixture thereof, arbitrary unit cells, and arbitrary sampling of the Brillouin zone. We present applications of the method to non-self-consistent ab initio positron distribution and lifetime calculations for systems of over 5000 atoms, as well as initial self-consistent results.

Wednesday, September 15, 2004 Formulation of the Anisotropic Coarsening Theory (ACT) and applications to the liquid phase sintering of silicon nitride*

Location: 3-110 ESB, 2:30 pm
Presenter(s): Nithaya Chetty University of KwaZulu-Natal, South Africa
Contact: R. M. Martin
Description: We have developed a new coarsening theory that more completely describes grain growth of a system of anisotropic particles by Ostwald ripening compared with the conventional LSW theory. Our model is applied to the coarsening of beta-silicon nitride in a liquid medium, where the anisotropy is due to the properties of the different surfaces of the hexagonal particles. Our model suggests the possiblity of different grain growth mechanisms on the different surfaces that might explain the controversies in the literature on the measurement of the growth exponents of these systems. Numerical experiments are performed to study the evolution of the particle number distribution function under experimental conditions such as diffusion-limited and reaction-limited growth.

Thursday, August 19, 2004 Coupled Electron-Ion Monte Carlo Method and Application to Metallic Hydrogen*

Location: 3-110 ESB, 3:00 pm
Presenter(s): Carlo Pierleoni, Physics Dept., University of L'Aquila, Italy
Contact: David Ceperley
Description: I describe a new Quantum Monte Carlo (QMC) methodology, which couples Path Integral Monte Carlo (PIMC) for finite temperature protons with Quantum Monte Carlo methods for ground state electrons, and I apply it to metallic hydrogen for pressures beyond the molecular dissociation threshold. At variance with previous QMC methods (Restricted-PIMC and Diffusion-QMC) which treat protons and electrons at the same level, our present one is based on the Born-Oppenheimer separation of time scales. This new method, called Coupled Electron-Ion Monte Carlo (CEIMC)[1], is able to fill most of the gap between the Restricted-PIMC and the Diffusion-QMC for metallic hydrogen. Key ingredients of CEIMC for metallic hydrogen are: 1) the use of a recently derived analytic form for the electronic trial wave function including three-body and backflow effects [2]; 2) the implementation of an efficient Reptation QMC algorithm to sample the electronic ground state within the Fixed node approximation; 3) the average of the electronic properties over twisted boundaries to minimize the finite size effects; 4) the use a suitable Trotter breakup of the proton density matrix which minimize the number of protonic time slices in the PIMC.

I will present results for metallic hydrogen in a range of densities and temperatures where molecules are absent and where protons undergo a solid-fluid transition. We report results for the EOS and give a qualitative location of the transition line[3].

In comparison with previous Car-Parrinello Molecular Dynamics (CPMD) results[4], our data exhibit more structure and higher melting temperature of the proton crystal.

[1] D. M. Ceperley, M. Dewing and C. Pierleoni. Lecture Notes in Physics extitBridging Time Scales, Vol 605, pg. 473-499. ed. P. Nielaba et al., Springer-Verlag (2003). (physics/0207006).
[2] M. Holzmann, D.~M. Ceperley, C. Pierleoni and K. Esler, Phys. Rev E extbf68, 046707 (2003).
[3] C. Pierleoni, D.M. Ceperley and M. Holzmann extitCoupled Electron Ion Monte Carlo Calculations of Dense Metallic Hydrogen, Phys. Rev. Lett. accepted (Aug 2004), (physics/0405056).
[4] J.Kohanoff and J.P.Hansen, Phys. Rev. Lett. extbf74, 626 (1995), Phys. Rev. E extbf54, 768 (1996)

Thursday, August 12, 2004 Electronic structure by Slater determinant random walks*

Location: 3-110 ESB, 3:00 pm
Presenter(s): Prof. Shiwei Zhang,Department of Physics College of William and Mary
Contact: David Ceperley, ceperley at uiuc.edu

Monday, April 12, 2004 Critical dynamics in a funnel-shaped landscape: a Landau-type theory of the glass transition*

Location: Room 280 MRL, 12:00 pm
Presenter(s): Professor Bulbul Chakraborty, Brandeis University
Contact: Prof. Paul Goldbart (Physics) or Duane Johnson (MatSE)
Abstract: Glassy dynamics occur in a large variety of systems, such as supercooled liquids, foams and granular matter. They are characterized by an exponentially rapid increase of relaxation times, as a control parameter such as temperature or density in tuned, and by a non-exponential decay of time-dependent correlation functions indicating a broad distribution of timescales. In this talk, I will present an exact solution of a Landau model of an order-disorder transition with activated critical dynamics. The model describes a funnel-shaped topography of the order parameter space in which the number of energy lowering trajectories rapidly diminishes as the ordered ground state is approached. This leads to an asymmetry in the effective transition rates, which results in a non-exponentia lrelaxation of the order-parameter fluctuations and a Vogel-Fulcher-Tammann divergence of the relaxation times,typical of a glass transition. I will discuss a lattice model where this class of critical dynamics is realized and I will argue that the Landau model provides a general framework for studying glassy dynamics in a variety of systems.

Thursday, February 12, 2004 Fast Eigenvalue/Eigenvector Computation for Dense Symmetric Matrices

Location

Room 1003 MRL, 11:00 am

Presenter(s)

Inderjit Dhillon

Contact

Eric De Sturler

Abstract

Computing the eigenvalues/eigenvectors of a dense symmetric matrix is a classical problem and usually proceeds in 3 phases: (i) reduce the matrix to tridiagonal form, (ii) solve the tridiagonal eigenproblem and (iii) back-transform to obtain eigenvectors of the original matrix. In this talk, we present the first O(n^2), numerically stable, embarrassingly parallel algorithm for phase (ii). All previous algorithms for this purpose were O(n^3) in complexity, and in practice, often accounted for 80% of the total time for solving large dense eigenproblems. The new algorithm achieves O(n^2) complexity by avoiding all Gram-Schmidt orthogonalization.

The crucial ingredients of the new algorithm are:

(1) using factored forms to achieve provably high relative accuracy,
(2) using "twisted factorizations" to compute approximate eigenvectors with probably small relative residual norms.
(3) using multiple factored forms to "separate" clustered eigenvalues, thereby automatically obtaining numerically orthogonal approximations to eigenvectors (no Gram-Schmidt). An interesting facet of our work is that high accuracy in intermediate computations leads to a much faster overall algorithm.

Impressive speedups are obtained on matrices from the real-life applications of computational quantum chemistry (PNNL) and finite-element modeling (from Jeff Bennighof). The largest dense problem solved "in-core" on a 256-node parallel computer is of size 128,000 x 128,000 which takes about 8 hours of CPU time. A preliminary version of the sequential software is now included in the LAPACK public-domain library.

The work on the sequential algorithm is joint with Beresford Parlett of UC Berkeley, while the parallel algorithm has been developed jointly with Paolo Bientinesi and Robert van de Geijn of UT Austin.

Tuesday, February 10, 2004 Modeling Elastic and Plastic Deformations in Materials Physics

Location: Room 280 MRL, 12:00 pm
Presenter(s): Ken Elder, Dept. of Physics, Oakland University
Contact: Nigel Goldenfeld
Abstract: The vast majority of naturally occurring or man-made solids are not in equilibrium and contain complex spatial structures on nanometer, micron or millimeter length scales. This is particularly important since these morphologies often determine the mechanical, electrical and optical properties of the material. Elastic and plastic deformations frequently have a significant impact on the nature of the morphologies, but are difficult to incorporate in theoretical treatments. In this talk I would like to discuss a simple method of modeling elastic and plastic deformations in non-equilibrium phenomena. For illustrative purposes a number of applications will be considered including liquid phase epitaxial growth, spinodal decomposition, eutectic solidification, dendritic growth and material hardness.

Monday, February 9, 2004 Control of Exchange Interaction in a Double Dot System*

Location

Room 280 MRL, 2:00 pm

Presenter(s)

M. Stopa, Tarucha Mesoscopic Correlation, Project, ERATO-JST, Atsugi, Japan

Contact

Jean-Pierre Leburton

Abstract

Electron spin in semiconductors has been shown to remain coherent over remarkably long times [1]. This is because direct coupling to the magnetic moment of an electron through, for example, hyperfine interaction or spin-orbit coupling is weak. This makes spin useful for quantum information processing in general and a good qubit candidate for quantum computing in particular [2]. The relative isolation of a spin from its environment, however, makes spinmanipulation and especially single spin measurement very challenging. The Pauli exclusion principle, however, causes the Coulomb interaction between electrons with parallel spins to be generally weaker than between electrons with anti-parallel spins. This exchange effect is the basis of entanglement interactions between spin qubits in quantum computing proposals [2].

In a double quantum dot with one electron on each dot, the anti-ferromagnetic exchange coupling J is equivalent to the splitting between the ground singlet and ground triplet states of the two electron system. In this work, we combine density functional (DF) calculations with exact diagonalization methods to compute the electronic structure of a lateral, GaAs-AlGaAs heterostructure based double quantum dot, thereby incorporating a realistic geometry with a correct treatment of correlation. We use the converged Kohn-Sham eigenstates for spinless electrons as a single particle basis and form all symmetric and anti-symmetric combinations of two-electron states. The Coulomb matrix elements between these states are determined via Poisson's equation which is very efficient in comparison with computation of six dimensional integrals and which automatically includes the effects of screening by the surface metal gates of the double dot. The one-particle energies are carefully corrected for double counting of the Coulomb interaction. Since our single particle basis is composed of states of the double dot, tunnelling need not be included as a perturbation.

The principle result which we emphasize here concerns the evolution of J and the exchange integral V_ex, with magnetic field. We show that V_ex, which arises from the overlap in the barrier between the two localized wave functions, is not monotonic with B. This results from the competition between the lateral (perpendicular to the line between the two dots) compression of the wave functions with B, which increases V_ex, and the contracting influence of B, which reduces the overlap in the barrier. We suggest how the inter-dot gating configuration might be varied, between, say, a long narrow channel and a short wide one to modulate the exchange interaction and its dependence on magnetic field, and also on inter-dot barrier height and dot potential offset.

[1] T. Fujisawa et al., Science 282, 932 (1998)
[2] G. Burkard et al., Phys. Rev. B, 59, 2070 (1999).

Friday, January 16, 2004 An informal discussion: *What is nano?**

Location: Room 280 MRL, 2:00 pm
Presenter(s): Vincent Crespi, Professor of Physics and Materials Science and Engineering, Penn State University
Contact: Richard Martin

Monday, December 8, 2003 Structural Topology Optimization and Applications*

Location: 151 Loomis Laboratory, 4:00 pm
Presenter(s): Emilio C. N. Silva, University of Sao Paulo, Brazil
Contact: H. Paulino Glaucio
Abstract: Topology optimization is a general structural optimization method that combines optimization algorithms with the finite element method. The main applications considered in this presentation are piezoelectric devices which consist of a flexible structure (compliant mechanism) actuated by one or more piezoceramics. The flexible structure must generate different output displacements and forces in different specified points of the domain and directions, for different excited piezoceramics. It acts as a mechanical transform by amplifying and changing the direction of the piezoceramics output displacements. These devices can have a wide range of applications in precision mechanics such as machine tools, lens focus system of photograph machines, microsurgery tools, nanotechnology equipment, cell manipulators, lens positioner for interferometers. microelectromechanical systems (MEMS), etc. By changing the topology of these devices or their components an improvement in their performance characteristics can be obtained. Thus, in this work the potentiality of applying synthesis methods to design these piezoelectric devices is shown using topology optimization. Among the devices it will be presented the design of flextensional actuators, linear piezoelectric motors and multi-flexible micro-manipulators. The examples presented show that the synthesis method is indeed a promising tool to design these devices, showing that their application is still in the beginning and there is much room for further improvements.

Monday, November 10, 2003 Critical thickness for ferroelectricity in barium titanate ultrathin films*

Location: Room 3-110 ESB, 2:00 pm
Presenter(s): Javier Junquera, Department of Physics and Astronomy, Rutgers University
Contact: Richard Martin
Abstract: ABO₃ ferroelectric perovskites are promising candidate materials for Non-volatile Ferroelectric Random Acces Memories (FeRAM). Industry's demand for ultrahigh density information storage imposes the reduction of the cell- sizes and thicknesses of the ferroelectric while some size effect should be expected on the ferroelectricity of the system. Previous first-principles based effectivehamiltonian calculations 1 and full firstt-principles simulations 2 predicted ferroelectric ground states for ABO₃ ultrathin films under zero field boundary conditions and suggested the absence of a critical size. However, in these previous approaches, the role played by the metallic electrodes on the structure and polarization of the system was not explicitely treated but only implicitely included through particular electric and mechanical boundary conditions. Here, we report density-functional first-principles calculations ₃ on a realistic SrRuO₃/BaTiO₃/SrRuO₃ ferroelectric capacitor structure under short-circuit boundary conditions. A critical thickness for ferroelectricity is identified and valued at 24 A (six unit cells of BaTiO₃). A depolarizing electrostatic field. caused by the existence of finite dipoles at the metal/ferroelectric interfaces is responsible for the disapearance of the ferroelectricity. Above the critical thickness, we recover a polarized ground-state, although with a reduced spontaneous polarization with respect to the bulk, in good agreement with experimental results 4. A simple model, based only on the electrostatic of the system, is proposed to explain the evolution of the ferroelectric properties with the film thickness. Our results suggest a lower limit for useful thicknesses of ferroelectric materials in electronic devices.

Friday, November 7, 2003 Computational challenges and solution algorithms in electronic structure calculations*

Location: Room 280 MRL, 10:00 am
Presenter(s): Prof. Yousef Saad, Department of Computer Science and Engineering, University of Minnesota
Contact: Duane Johnson
Abstract: Density Functional Theory (DFT) is a successful technique used to determine the electronic structure of matter which is based on a number of approximations. It converts the original n-particle problem into an effective one-electron system, resulting in a coupled one-electron Schrodinger equation and a Poisson's equation. This coupling is nonlinear and rather co mplex. It involves a charge density rhohich can be computed from the wavefunctions psi, for all occupied states. This gives rise to what may viewed as a non-linear eigenvalue problem which is solved iteratively. The challenge comes from the large number of eigenfunctions to be computed for realistic systems with, say, hundreds or thousands of atoms. We will begin by discussing a parallel implementation of a finite difference approach for this problem and report on some results. We will also explore the fundamental underlying linear algebra which can be viewed as a problem of determining the diagonal of a projector associated with an invariant subspace. Methods that avoid completely the computation of eigenvectors will be briefly discussed. Finally, we will present current work on time-dependent density functional theory with an emphasis on showing some of the resulting big challenges in matrix computations encountered in this application.

Friday, November 7, 2003 Atoms on the Move: Simulating the Properties of Semiconductor Liquids*

Location: Room 280 MRL, 11:00 am
Presenter(s): Prof. James R. Chelikowsky, Institute for the Theory of Advanced Materials in Information Technology Digital Technology Center and Department of Chemical Engineering and Materials Science, University of Minnesota
Contact: Duane Johnson
Abstract: Liquids present special chal lenges in predicting their electronic and structural properties. They contain numerous degrees of freedom and no symmetry. In addition, one can only discuss their properties in terms of statistical averages. I will discuss applications of electronic structure methods using ab initio molecular dynamics to a number of semiconductor liquids. Our simulations are based on quantum forces extracted from a solution of the electronic structure problem at each time step of the simulation. I will illustrat e this method by simulating elemental liquids like Si and Ge, in addition to a number of III-V, II-VI and IV-VI semiconductor liquids such as GaAs, CdTe, and GeTe.

Wednesday, October 29, 2003 Electronic transport in Nanostructures from first principles: a simulation tool*

Presenter(s): Dr. Pablo Ordejon, Institut de Ciència de Materials de Barcelona
Contact: Richard Martin
Abstract: Nanoelectronics is one of the hottest topics in current materials science research. I will describe recent efforts in developing fast and accurate simulation tools for electronic transport in devices at the nanoscale. In particular, I will present a first-principles method, based on Density Functional Theory, for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. The method has been applied to several systems, including nanometer-scale metallic wires, organic molecules and carbon nanotubes.

Friday, October 24, 2003 Deriving Plasticity: Attempts at a Theory for Dislocation Patterning and Work Hardening*

Location: Room 3-110 ESB, 11:00 am
Presenter(s): Jim Sethna, Department of Physics, Cornell University
Contact: Karin Dahmen
Abstract: When you abuse your fork in cutting a tough piece of meat, and it bends irreversibly, plastic deformation has occured. Plastic deformation in crystals arises because of the creation, motion, and tangling of myriads of dislocation lines, forming complex patterns and cellular structures. We're trying to develop a mesoscale field theory for rate-independent plasticity, governing behavior on scales large compared to the dislocations and explaining the emergence of these cellular structures. Largely using symmetry arguments, we've developed a scalar theory that exhibits a yield stress, work hardening, and cell boundary formation. We're now developing a more realistic theory based on the dislocation density tensor. In collaboration with Markus Rauscher, Jean-Phillipe Bouchaud, and Surachate Limkumnerd.

Friday, September 12, 2003 Full Multiple Spawning with QM/MM Methods for Excited States: Direct Photodynamics for Large Chromophores in Proteins and Condensed Phases*

Location: Room 280 MRL, 11:00 am
Presenter(s): Alessandro Toniolo, Dipartimento di Chimica e Chimica Industriale, Universita di Pisa
Contact: Todd Martinez
Abstract: First principles simulations of photodynamics have recently been demonstrated using the ab initio multiple spawning (AIMS) method. The AIMS method uses a multireference wave function ansatz in order to achieve a globally accurate description of the ground and excited state potential energy surfaces and their nonadiabatic couplings. AIMS has been applied to molecules with up to 26 atoms; however, the extreme computational expense poses a serious obstacle to studies of large molecules and complex environments. We use a floating occupation molecular orbital (FOMO)semiempirical configuration interaction (CI) method which ameliorates these difficulties and demonstrate its utility for photoactive protein dynamics. The FOMO-CASCI method has been incorporated in MOPAC, including the possibility of a hybrid quantum mechanical/molecular mechanical (QM/MM) description. Using the QM/MM decomposition, we describe the active part of the system (e.g. achromophore and possibly a small part of the environment) with the FOMO-CASCI method, and the remainder of the system is modeled with a classical force field method. The QM and MM sub-regions are joined by using specific connection atoms. Furthermore, the FOMO-CASCI-QM/MM method has been implemented with direct nonadiabatic dynamics techniques, including both surface hopping and multiple spawning. The new FOMO-CASCI-QM/MM method is applied to the photodynamics of the Green Fluorescent Protein fluorophore in vacuum, aqueous, and protein environments. The results allow us to understand why the fluorophore exhibits its peculiar fluorescence only when embedded in the protein environment.

Friday, August 29, 2003 Simulating the phase behaviour of polydisperse fluids*

Location: Room 280 MRL, 11:00 am
Presenter(s): Nigel Wilding, University of Bath, U.K.
Contact: Erik Luitjen
Abstract: Many complex fluids comprise mixtures of similar rather than identical constituents. Examples are colloidal dispersions in which the particles may exhibit a spread of sizes, shapes or surface charges, and polymers which may have a range of chain lengths. This dependence of particle properties on one or more continuous parameters is termed polydispersity. In this talk I will outline some of the interesting effects polydispersity can have on bulk phase behaviour. I will then focus attention on the computational challenges posed by polydispersity and describe new general simulation algorithms that allow polydisperse fluids to be tackled effectively within a grand or semi-grand canonical ensemble Monte Carlo framework. Simulations results will then be presented for the equation of state of size-disperse hard spheres and the liquid-gas phase behaviour of a size-disperse Lennard-Jones fluid. Finally I will compare my results with new and existing theoretical predictions and show that the proper inclusion of packing effects in theories is crucial for the correct reproduction.

Wednesday, July 2, 2003 New small silicon interstitial clusters*

Location: Room 280 MRL, 2:00 pm
Presenter(s): Kaden Hazzard, Department of Physics, The Ohio State University, http://www.physics.ohio-state.edu/hazzard
Contact: Jeongnim Kim
Abstract: Silicon self-interstitial clusters dramatically enhance boron's diffusion, which is important in the fabrication of silicon devices. By combining long-time, tight-binding molecular dynamics simulations with novel multi-resolution analysis techniques, we predict new stable structures of these silicon interstitial clusters. A new tri-interstitial ground state is discovered, highlighting this approach. Its energy within density-functional theory (DFT) is 400 meV below the previously assumed ground state. Interestingly, this structure provides a link between compact interstitial clusters and experimentally observed extended, planar defects. Two new di-interstitials, two new tri-interstitials, and single-interstitials bound to distorted di-interstitials are also detected from the dynamics and examined with DFT. We augment our understanding of the dynamics uncovered from molecular dynamics with nudged-elastic band and dimer method saddle-point searches. This provides a complete picture of the dynamics of small-interstitial clusters. In particular, the di-interstitial and tri-interstitial are both extremely mobile. However, the new tri-interstitial ground state is quite stable and intermittently stops this rapid diffusion.

Wednesday, June 18, 2003 Theory of the tunneling spectroscopy in buried metallic nanoparticles*

Location: Room 280 MRL, 2:00 pm
Presenter(s): Gustavo A. Narvaez, Department of Physics, The Ohio State University, http://www.physics.ohio-state.edu/gustavo/
Contact: Jeongnim Kim
Abstract: Single quantum level tunneling spectroscopy is a powerful tool to probe the electronic structure of individual metallic nanoparticles. The observed spectra show resonances whose spacing and magnitude depend sensitively on the bias voltage. A microscopic theory for the electron tunneling through buried metallic nanoparticles naturally explains the spacing, and the relative magnitude under bias reversal. This theory begins with a microscopic model for the electronic structure of the nanoparticle and calculates the tunneling spectra using a master equation formalism. Two fundamental aspects combine to predict the observed features: (i) The nonuniform spacing of the electronic levels arising from disorder-induced fluctuations of the electronic wavefunctions, and (ii) the Coulomb blockade energy being large compared to the average level spacing. The theory also predicts that (a) the slopes of the resonances with respect to gate voltage are affected by the local electrostatic environment. The mean slope grows larger for smaller nanoislands and can be twice that predicted for large particles. Measuring these slopes is a direct probe of the magnitude of nanoscale effects. (b) If the intragrain electronic relaxation and bottleneck tunneling time are such as to admit a significant population of non-equilibrium states the density of tunneling resonances may be much greater than observed to date.

Wednesday, May 1, 2002 Fracture patterns and kinetics in deposition of solids*

Location: Room 280 MRL, 2:30 pm
Presenter(s): Boris Yakobson, Rice University
Contact: MCC & Young Huang (ME)
Description
Abstract: Chemical transformation of solids is often complicated by the intricate multiple fragmentation, which is caused by emerging internal mismatch. New surfaces and channels created by such fracture facilitate in turn the chemical transport of the volatile component. For a long time no self-consistent approach to this coupled kinetics-mechanics problem existed. We will present analysis that begins from single crack equilibrium, and through minimization of the free energy describes the ensemble of cracks. This enables one to solve the "selection problem" for the pattern-formation process and to obtain simple equations for the rate of crack network propagation.

Monday, March 25, 2002 Tight-Binding for Real Materials*

Location: Room 280 MRL, 11:00 am
Presenter(s): Mike Mehl, Naval Research Laboratory
Contact: Duane Johnson
Description: Accurate first-principles quantum mechanical calculations for real materials are computationally limited to no more than 100-1000 atoms. At larger scales, atomistic potentials such as the Embedded Atom Method are used, but these methods may miss important physics driven by changes in the electronic structure, e.g., at cracks and defects. Parametrized tight-binding (TB) methods exist between these two extremes. Unlike atomistic potentials, the quantum mechanical behavior of the electrons is maintained, but the computational effort is much less than needed for comparably sized first-principles calculations. This talk describes the NRL Tight-Binding Method (NRL-TB), which maps the results of a limited set of first-principles calculations to a two-center non-orthogonal Slater-Koster TB Hamiltonian. The on-site Hamiltonian parameters are sensitive to the local environment and the hopping parameters are bond-length dependent. The method has been shown to successfully determine elastic constants, phonon frequencies, vacancy formation energies, and surface energies. In addition, TB molecular dynamics simulations are used to study thermal expansion and atomic diffusion. We will discuss applications to spin-polarized systems, non-collinear magnetization, and multi-component systems, including MgB₂.

Wednesday, February 27, 2002 Thermal Activation of Dislocation Motion*

Location: Room 280 MRL, 11:00 am
Presenter(s): Frank Nabarro, Dept. of Physics, University of the Witwatersrand, South Africa
Contact: Carl Altstetter
Description: This talk will explore new developments in the classical theory of thermal activation of dislocations during plastic deformation of metals. In simplest terms, the talk addresses the question of how a dislocation surmounts the Peierls-Nabarro barrier. The expression for the activated motion of dislocations under shear stress is re-examined at high stresses, taking into account non-linear elastic effects in the activated state. Activation of dislocations at low stresses and the implications for the activation volume is also explored. Following stress-assisted thermal activation of the dislocation, the load is redistributed to other sub-critical activation sites, producing a multiplication factor which is stress-dependent and changes the relationship between strain rate and applied stress.

Tuesday, February 26, 2002 Electronic Structure Codes and Methods Development at NERSC*

Location: Room 280 MRL, 3:00 pm
Presenter(s): Andrew Canning, NERSC/Lawrence Berkley Laboratory
Contact: Jeongnim Kim
Description: NERSC (The National Energy Research Scientific Computing Center) is an unclassified national computer facility run for the DOE by the University of California. NERSC has a 3000 processor IBM SP and a 692 processor Cray T3E. After a brief introduction to NERSC I will describe some NERSC activities in materials science code development such as PARATEC a parallel plane-wave DFT code and P-FLAPW a parallel FLAPW code that can simulate transition metal systems containing hundreds of atoms. The parallelization and scaling issues in these codes will be discussed.

Friday, October 12, 2001 Real-space multiscale methods in DFT*

Location

Room 280 MRL, 2:00 pm

Presenter(s)

Thomas Beck, Department of Chemistry, University of Cincinnati

Contact

Duane Johnson

Abstract

This talk will discuss progress in efficient solvers which have as their foundation a representation in real space, either through finite-difference or finite-element formulations. The relationship of real-space approaches to linear-scaling electrostatics and electronic structure methods is first discussed. Then the basic aspects of real-space representations are presented.

Multigrid techniques for solving the discretized problems are covered; these numerical schemes allow for highly efficient solution of the grid-based equations. Applications to problems in electrostatics are discussed, in particular numerical solutions of Poisson and Poisson-Boltzmann equations. Next, methods for solving self-consistent eigenvalue problems in real space are presented; these techniques have been extensively applied to solutions of the Hartree-Fock and Kohn-Sham equations of electronic structure, and to eigenvalue problems arising in semiconductor and polymer physics. Finally, real-space methods have found recent application in computations of optical response and excited states in time-dependent density functional theory, and these computational developments are summarized.

Multiscale solvers are competitive with the most efficient available plane-wave techniques in terms of the number of self-consistency steps required to reach the ground state, and they require less work in each self-consistency update on a uniform grid. Besides excellent efficiencies, the decided advantages of the real-space multiscale approach are: 1) the near-locality of each function update, 2) the ability to handle global eigenfunction constraints and potential updates on coarse levels, and 3) the ability the incorporate adaptive local mesh refinements without loss of optimal multigrid efficiencies.

Monday, November 6, 2000 Cluster growth from a reversible model of diffusion*

Location

Room 280 MRL, 2:00 pm

Presenter(s)

Raissa D'Souza, Bell Laboratories, Murray Hill, NJ

Contact

Karin Dahmen

Abstract

I will discuss a lattice gas model of cluster growth via the diffusive aggregation of particles in a closed system obeying a local, deterministic, microscopically reversible dynamics. This model roughly corresponds to placing the irreversible Diffusion Limited Aggregation model (DLA) in contact with a heat bath. Particles release latent heat when aggregating, while singly connected cluster members can absorb heat and evaporate. The heat bath is initially empty, hence we observe the flow of entropy from the aggregating gas of particles into the heat bath, which is being populated by diffusing heat tokens. Before the population of the heat bath stabilizes, the cluster morphology (quantified by the fractal dimension) is similar to a standard DLA cluster. The cluster then gradually anneals, becoming more tenuous, until reaching configurational equilibrium when the cluster morphology resembles a quenched branched random polymer.

The details of the model will be presented along with an analytic formulation for the macroscopic limit of the model. The subsequent discussion will focus on the transitions in the resulting growth morphology of the clusters and the approach to thermodynamic equilibrium, including prospects for controlling the resulting growth morphology.

Tuesday, September 5, 2000 Van der Waals interacton between atomic cluster of simple metal and metal surface*

Location: Room 280 MRL, 2:00 pm
Presenter(s): Prof. P. V. Panat, Department of Physics, University of Pune, India
Contact: MCC
Abstract: Sandogdher et. al. made a first direct quantitative test of van der Waals interaction between sodium atom and two parallel metal plates separated by about one micron. We make detailed theoretical calculation by modeling this interaction as a self-energy of the atom by virtual emission and re-absorption of surface plasmons of the metal surface. Realizing the success of this model, we calculated the interaction energy between magic number metal cluster and the metal surface. It is shown that interaction energy DE goes as 1/z³and constant of proportionality is a function of w_p and E_F/N^1/3, where w_pis the plasma frequency of the metallic surface, E_Fis the Fermi energy of the metallic cluster and N is the number of atoms in the cluster. Force of attraction between the cluster and the surface as a function of distance is calculated.

Wednesday, August 16, 2000 Universality in two-dimensional quantum magnets*

Location: Room 280 MRL, 2:00 pm
Presenter(s): Matthias Troyer, ITP, Dept. of Physics, ETH-Zurich, Switzerland
Contact: Richard Martin, Tadashi Ogitsu
Abstract: The quantum Monte Carlo loop algorithm has led to a breakthrough in the numeric simulation of quantum magnets. It enables us to perform simulations on lattices with up to millions of quantum spins. This has made possible the accurate investigation of the low temperature universal scaling regime in quantum magnets and the properties of quantum phase transitions. I will give an overview of theoretical and numerical work for the phase diagram of two-dimensional quantum Heisenberg antiferromagnets, emphasizing quantum phase transitions and crossovers as well as applications to quantum magnets and quantum Hall bilayer systems. In contrast to classical phase transitions in the vicinity of quantum phase transitions not only the critical exponents but also critical amplitudes and critical temperatures can be universal.

Tuesday, August 15, 2000 Generic parallel algorithms for lattice models*

Location: Room 2269 Beckman Institute, 2:00 pm
Presenter(s): Matthias Troyer, ITP, Dept. of Physics, ETH-Zurich, Switzerland
Contact: Richard Martin, Tadashi Ogitsu
Abstract: In this talk I will give an overview over the PALM++ project (Parallel Algorithms for Lattice Models). Using object oriented and generic programming techniques in C++ we are now able to do what was thought to be impossible before: developing general implementations of the standard algorithms (classical and quantum Monte Carlo with local and cluster updates, exact diagonalization, series expansion, density matrix renormalization group, classical and quantum transfer matrix methods) that work for a large variety of models and lattices while being as efficient as FORTRAN 77 programs. Object oriented programming techniques allow a very flexible implementation of the application framework and the automatic and transparent parallelization of algorithms like Monte Carlo simulations or series expansions. The run-time polymorphism implied by object orientation adds a performance penalty that is negligible at the framework level. In the inner loops of any actual simulation however the performance penalty exacted by run-time polymorphism is inacceptable. Generic programming is a modern programming technique which solves this problem by shifting the specialization to the specific model to compile-time. Using compile-time polymorphism it is possible for the compiler to optimize the generic algorithm to the spcific model and thus to obtain codes as efficient as a hand-optimized FORTRAN 77 implementation for a specific model. This will make it possible to perform high performance simulations of quantum many body problems without any serious programming - nearly as easy as using Mathematica. E.g. an application of a many body Hamiltionian $[sum_i -t(c^dag_ic_i+1+H.c.) -mu n_i + U n_i(n_i-1)]psi angle$ can now be coded as simple as: t sum(i,(-t*(cdag(i)*c(i+1)+HC)-mu*n(i)+U*n(i)*(n(i)-1))*psi) This has the potential to revolutionize the way computational methods are used in statistical and condensed matter physics.

Monday, June 26, 2000 Time Dependant Density-Functional Theory and Si clusters.*

Location: Room 4169 Beckman Institute, 2:30 pm
Presenter(s): Keith Glassford
Contact: Richard Martin
Abstract: Keith will present some of the new applications MSI has developed for the PC.

Wednesday, June 21, 2000 Time Dependent Density-Functional Theory and Si clusters.*

Location: Room 280 MRL
Presenter(s): Igor Vassiliev
Contact: Richard Martin
Abstract: Igor, a new MCC post-doc, will present some results of TDFT applied to Si clusters.

Tuesday, May 30, 2000 Stability of Si-interstitial complexes: from point to extended defects*

Location: Room 280 MRL
Presenter(s): Jeongnim Kim, Department of Physics, Ohio State University
Contact: Richard Martin
Abstract: Transient enhanced diffusion (TED) in boron-implanted silicon is the limiting factor in controlling dopant profiles for submicron Si-based devices. Interstitial defects in bulk Si generated during implantation have been identified as the sources for boron TED. A class of macroscopical interstitial defects, namely 311 defects, was suggested to emit interstitials that can contribute to the enhancement of boron diffusion under typical implantation conditions. We study the stability and electronic structure of interstitial clusters and interstitial chains by performing tight-binding and first-principle total energy calculations. Accurate parameterization of the defect-formation energy on the number of interstitials and interstitial chains, together with the anisotropy of the interstitial capture radius, enables macroscopic defect-growth simulations.

Monday, March 13, 2000 Parallel supercomputing in science and engineering*

Location

Room 112 Chemistry Annex

Presenter(s)

Ole Nielsen, Center for Atomic-scale Physics (CAMP), Technical University of Denmark

Contact

MCC

Abstract

Computer simulations of complex problems using high-performance computers have evolved to the point where the simulations enable important progress in many areas of science and engineering. The staggering developments in microprocessor technology have impacted also high-performance computing in the last decade. Custom-built vector-processors, which used to be the workhorses of computer centers, have almost everywhere been superseded by parallel microprocessor-based computers.

Today's parallel supercomputers are actually also custom-built because they require high-performance memory subsystems and data-communication networks. They are highly efficient for many types of simulation problems, provided that appropriate parallel algorithms are developed.

An important new trend is the construction of supercomputers by means of lots of mass-produced PCs or workstations. This is known as the "Beowulf" cluster concept. By combining commodity equipment into real parallel supercomputers, many classes of demanding supercomputing problems can be solved extremely cost-effectively.

This talk discusses a number of the technologies that go into building "commodity" supercomputers, both in terms of the computer and networking hardware, and in terms of the software. The role of proprietary software as well as Open Source software freely available on the Internet will be discussed.

An example application utilizing such a supercomputer is the Density-functional electronic structure code developed at CAMP, which among other things employs a new parallel eigensolver algorithm.

Outlooks for parallel supercomputing in the future conclude the talk.

Wednesday, February 23, 2000 Theory of composite-band Wannier states and order-N electronic-structure calculations

Location

Room 280 MRL

Presenter(s)

Takeo Hoshi, Dept. of Applied Physics, University of Tokyo

Contact

Richard Martin

Abstract

Wannier states (WS's) are re-investigated recently in the context of the order-N method, because their locality is essential to the order-N ansatz. A pioneering work by Kohn ('59) shows that, in a one-dimensional single-band case, the tail of WS wavefunctions decays exponentially with a decay parameter proportional to the square root of the bandgap. In three-dimensional composite-band cases, however, their general feature of the locality has not been well investigated.

This talk is devoted to our study of the locality of composite-band WS's; (i) We construct the 'exact' WS's of the valence and conduction band for the diamond-structure solids within tight-binding hamiltonians and analyze their locality by the conventional perturbation theory. (ii) From the localized-orbital order-N formulation, we directly derive the equation for the composite-band WS's, and also derive their localized property, as a general theory.

The results imply that the locality of WS's can be insensitive to the bandgap, which is quite different from that in the single-band case. Ref. cond-mat/9910424

Wednesday, February 23, 2000 Molecule-surface Interactions by Design

Location: Room 112 Chemistry Annex, 4:00 pm
Presenter(s): Andrew Rappe
Contact: MCC
Abstract: The focus of our research is the theoretical modeling of chemical structure and reactivity from first principles. We are interested in performing research which enhances our ability to predict chemistry theoretically and which sheds light on complex systems of interest. To accomplish this, we solve the equations of quantum mechanics on state-of-the-art computers. Comparison of these theoretical predictions with experimental observations provides a stringent test of both our theoretical understanding of the system and the interpretation of the experiment. In addition, we can study systems which are difficult to create or to analyze experimentally. This can provide insight into an entire class of systems, and it can highlight systems which may be fruitful to investigate experimentally.

MCC Visitors

Tuesday-Thursday, February 5-7, 2008 Alan Aspuru-Guzik, Harvard University*

Contact: Amy Young
Description: Professor Aspuru-Guzik will give a talk about a new research direction: quantum coherence and energy transfer. He will also meet with faculty and students in chemistry, physics, and engineering during his visit.

Monday-Friday, September 24-28, 2007 Weidong Sheng, National Research Council, Ottawa, Canada*

Contact: J. P. Leburton, jleburto --> uiuc.edu
Description: Dr. Sheng will give a seminar and meet with quantum dot researchers.

Wednesday-Saturday, August 15 - December 15, 2007 Sashi Satpathy, University of Missouri*

Contact: Richard Martin, Local Organizer
Description: This visit provides a way for the Center to be involved in research on correlated electrons in oxides. Othe research interests of this visitor include spintronic materials and photonics. Professor Satpathy will bring 4 postdocs.

Wednesday-Saturday, January 24-27, 2007 Prof. Amy Langville, College of Charleston, South Carolina, Department of Mathematics*

Organization: College of Charleston, South Carolina
Contact: Amy Young, 217-333-0512
Description: Professor Langville will give two talks: ’Google’s PageRank and Beyond: The Science of Search Engine Rankings’ and ’Algorithms behind search engines’. This visit is sponsored by the Materials Computation Center and Women in Computer Science, UIUC.

Wednesday-Friday, November 1-3, 2006 Dr. Nicola Spaldin, University of California, Santa Barbara, Materials Department *

Contact: Amy Young, amyoung --> uiuc.edu
Description: Dr. Spaldin is a member of the MCC’s Advisory Board, and will attend the annual board meeting and meet with researchers and students one morning.

Wednesday-Friday, November 1-3, 2006 Dr. Warren Pickett, University of California Davis, Department of Physics *

Contact: Amy Young, amyoung --> uiuc.edu
Description: Dr. Pickett is a member of the MCC’s Advisory Board, and will attend the annual board meeting and meet with researchers and students one morning.

Tuesday-Saturday, October 31 - November 4, 2006 Dr. Glenn Martyna, IBM TJ Watson Laboratory, Yorktown Heights, New York *

Contact: Joyce Lucas, joyce --> ks.uiuc.edu
Description: Dr. Martyna is a member of the MCC’s Advisory Board, and will attend the annual board meeting and give a talk about his current research.

Sunday-Tuesday, September 17-19, 2006 Andreas Berge, Hitachi Global Storage Technologies, San Jose, CA*

Contact: K. Dahmen
Notes: Tentative - dates may change slightly

Monday-Friday, September 11-15, 2006 Sandro Sorella, SISSA/ISAS, Trieste Italy*

Contact: Michele Casula, casula --> express.cites.uiuc.edu
Description: During his visit, Dr. Sorella will meet with D. Ceperley, R. Martin, M. Casula and J. Kim and other members of MCC and quantum Monte Carlo methods, in particular for pseudopotentials, correlated wavefunctions and wavefunction optimization. He will give a talk on Sept 12 to MCC and Sept 15 in the Physics Dept.
Notes: This visit is jointly sponsored by the Physics Department and the MCC.

Saturday, August 5, 2006 Haydar Arlsan, Zonguldak Karaelmas Unviersity, Turkey*

Contact: Duane Johnson
Description: Dr. Arslan is a summer school participant and was invited to give a presentation. He prepared a short presentation on his research.

Saturday, August 5, 2006 Bothina Hamad, University of Jordan *

Contact: Duane Johnson
Description: Dr. Hamad is a summer school participant and was invited to give a presentation. This lecture "Education and research in Jordan, challenges and outlooks" will offer MCC staff and summer school participants a view of the research environment at her home institution.

Thursday, August 3, 2006 Huajun Fan, Prarie View A&M University*

Contact: Duane Johnson
Description: Dr. Fan is a summer school participant and was invited to give a presentation. This lecture "Nano-scale modeling with Undergraduates at Prairie View A&M University" will offer MCC staff and summer school participants a view of the research environment at his home institution.

Friday-Wednesday, June 2-7, 2006 Ivo Souza, UC Berkeley*

Contact: David Ceperley

Thursday-Saturday, April 6-8, 2006 Shiwei Zhang, Department of Physics College of William and Mary*

Contact: David Ceperley

Wednesday-Saturday, March 29 - April 8, 2006 Carlo Pierleoni, Physics Dept., University of L’Aquila, Italy*

Contact: David Ceperley

Thursday, March 9, 2006 Francois Willaime, Service de Recherches de Metallurgie Physique. CEA/Saclay*

Location: Room 280 MRL, 10:00 am
Contact: Pascal Bellon, bellon --> uiuc.edu

Monday, December 12, 2005 Roland Stumpf, Materials Physics, Sandia National Labs, Livermore, CA*

Contact: Duane Johnson, duanej --> uiuc.edu
Description: Dr. Stumpf will give a talk on reversible hydrogen storage during his stay.

Sunday-Tuesday, October 23-25, 2005 Dr. Patrick Rinke, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany*

Contact: Kris Delauney, kdelaney --> uiuc.edu
Description: Dr. Rinke will meet with faculty and students during his stay, and give a talk.

Monday-Tuesday, August 29-30, 2005 D.G. Austing, NRC, Ottawa, Canada *

Contact: J. P. Leburton, leburton --> uiuc.edu
Description: Dr. Austing is collaborting with Dr. Leburton on experimental and computational research on quantum dots. Dr. Austing will give a talk during his stay.

Monday-Thursday, April 18-28, 2005 Carlo Pierleoni, Physics Dept., University of L’Aquila, Italy*

Contact: David Ceperley

Sunday-Tuesday, December 5-7, 2004 Nobuhiko Akino, Sumitomo Chemical Co., Ltd.*

Contact: Richard Martin
Description: Dr. Akino will present a lecture about his research during his stay.

Wednesday, December 1, 2004 John E. Pask, Lawrence Livermore National Laboratory, University of California, Livermore, CA*

Contact: Jeongnim Kim
Description: Dr. Pask's visit is co-sponsored with PECM at NCSA.

Sunday-Friday, November 7-12, 2004 Lucia Reining, Laboratoire des Solides Irradis, Centre National de la Recherche*

Contact: Richard Martin and David Ceperley
Description: Dr. Reining will collaborate with R. Martin and D. Ceperely on a book on many-body theory and computation for condensed matter. She will give a seminar and special lectures on methods.

Tuesday-Monday, August 17-23, 2004 Carlo Pierleoni, Physics Dept., University of L'Aquila, Italy*

Contact: David Ceperley

Monday-Sunday, August 9-15, 2004 Prof. Shiwei Zhang, Department of Physics College of William and Mary*

Contact: David Ceperley, ceperley at uiuc.edu

Monday-Thursday, August 2-5, 2004 Frank Pinski, Univ. of Cincinnati*

Contact: Duane D. Johnson

Sunday-Saturday, August 1, 2004 - January 15, 2005 Nithaya Chetty, University of KwaZulu-Natal, South Africa*

Contact: Richard Martin

Sunday-Monday, April 11-12, 2004 Bulbul Chakraborty, Brandeis University*

Contact: Duane Johnson

Monday-Wednesday, March 8-10, 2004 Irene Burghardt, Chemistry Department, ENS Paris*

Contact: Todd Martinez

Wednesday-Friday, February 11-13, 2004 Inderjit Dhillon, Department of Computer Science, University of Texas at Austin*

Contact: Eric de Sturler

Monday, February 9, 2004 M. Stopa, Tarucha Mesoscopic Correlation, Project, ERATO-JST, Atsugi, Japan*

Contact: Richard Martin and Jean-Pierre LeBurton
Notes: 25

Friday, January 23, 2004 Vincent Crespi, Professor of Physics and Materials Science and Engineering, Penn State University*

Contact: Richard Martin
Notes: 2

Monday, December 8, 2003 Emilio C. N. Silva, University of Sao Paulo, Brazil*

Contact: H. Paulino Glaucio

Monday, November 10, 2003 Javier Junquera, Department of Physics and Astronomy, Rutgers University*

Contact: Richard Martin

Friday, November 7, 2003 Prof. Yousef Saad, Department of Computer Science and Engineering, University of Minnesota*

Contact: Duane Johnson

Friday, November 7, 2003 Prof. James R. Chelikowsky, Institute for the Theory of Advanced Materials in Information Technology Digital Technology Center and Department of Chemical Engineering and Materials Science, University of Minnesota*

Contact: Duane Johnson

Wednesday, October 29, 2003 Dr. Pablo Ordejon, Institut de Ciència de Materials de Barcelona*

Contact: Richard Martin

Friday, October 24, 2003 Jim Sethna, Department of Physics, Cornell University*

Contact: Karin Dahmen

Friday, September 12, 2003 Alessandro Toniolo, Dipartimento di Chimica e Chimica Industriale, Universita di Pisa*

Contact: Todd Martinez

Friday, August 29, 2003 Nigel Wilding, University of Bath, U.K.*

Contact: Erik Luitjen

Wednesday, July 2, 2003 Kaden Hazzard, Department of Physics, The Ohio State University, http://www.physics.ohio-state.edu/hazzard*

Contact: Jeongnim Kim

Wednesday, June 18, 2003 Gustavo A. Narvaez, Department of Physics, The Ohio State University, http://www.physics.ohio-state.edu/gustavo/*

Contact: Jeongnim Kim

Thursday-Friday, February 20-21, 2003 John Shumway*

Thursday, January 23, 2003 Jay A. Switzer*

Wednesday, May 1, 2002 Boris Yakobson, Rice University*

Contact: MCC & Young Huang (ME)
Description

Monday, March 25, 2002 Mike Mehl, Naval Research Laboratory*

Contact: Duane Johnson

Wednesday, February 27, 2002 Frank Nabarro, Dept. of Physics, University of the Witwatersrand, South Africa*

Contact: Carl Altstetter

Tuesday, February 26, 2002 Andrew Canning, NERSC/Lawrence Berkley Laboratory*

Contact: Jeongnim Kim

Monday, November 6, 2000 Raissa D'Souza, Bell Laboratories, Murray Hill, NJ*

Location: Room 280 MRL, 2:00 pm
Contact: Karin Dahmen

Tuesday, September 5, 2000 Prof. P. V. Panat, Department of Physics, University of Pune, India*

Contact: MCC

Tuesday-Wednesday, August 15-16, 2000 Matthias Troyer, ITP, Dept. of Physics, ETH-Zurich, Switzerland*

Contact: Richard Martin, Tadashi Ogitsu

Tuesday, May 30, 2000 Jeongnim Kim, Department of Physics, Ohio State University*

Contact: Richard Martin

Monday, March 13, 2000 Ole Nielsen,Center for Atomic-scale Physics (CAMP), Technical University of Denmark*

Contact: Richard Martin

Wednesday, February 23, 2000 Takeo Hoshi, Dept. of Applied Physics,University of Tokyo

Contact: Richard Martin

Wednesday, February 23, 2000 Andrew Rappe

Contact: MCC

Conferences, Workshops, and Summer Schools

Monday-Thursday, November 16-19, 2009 Linking Systems Biology and Biomolecular Simulations

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Friday, November 11-13, 2009 Ab-initio Modeling of Cold Gases

Organization: CECAM ETHZ
Location: Zurich, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Friday, October 21-23, 2009 Classical Density Functional Theory Methods in Soft and Hard Matter

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Friday, October 14-16, 2009 Computational Physics and Chemistry of Graphene

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Thursday, October 12-15, 2009 Computational Challenges Emerging from Next Generation Light Sources

Organization: DESY
Location: Hamburg, Germany
Notes: MCC is offering travel support for this event.

Monday-Thursday, October 12-15, 2009 Second World Materials Summit

Location: Suzhou, China
Notes: MCC is offering travel support for this event.

Wednesday-Friday, September 30 - October 2, 2009 Algorithmic Re-Engineering for Modern Non-Conventional Processing Units

Organization: CECAM USI
Location: Lugano, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, September 28-30, 2009 Recent Developments in Dynamical Mean Field Theory

Organization: CECAM ETHZ
Location: Zurich, Switzerland
Notes: MCC is offering travel support for this event.

Sunday-Friday, September 20-25, 2009 11th International Conference on Advanced Materials

Location: Rio de Janeiro, Brazil
Notes: MCC is offering travel support for this event.

Monday-Friday, September 14-18, 2009 E-MRS Fall Meeting

Organization: Warsaw University of Technology
Location: Warsaw, Poland
Notes: MCC is offering travel support for this event.

Monday-Friday, September 14-18, 2009 Quantum Transport on the Molecular Scale

Organization: BCCMS University of Bremen
Location: Bremen, Germany
Notes: MCC is offering travel support for this event.

Wednesday-Friday, September 9-11, 2009 Computer simulation of oxides: dopants, defects and surfaces

Organization: Trinity College
Location: Dublin, Ireland
Notes: MCC is offering travel support for this event.

Monday-Thursday, September 7-10, 2009 Coarse-Graining Biological Systems: Towards Large-Scale Interactions and Assembly

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Sunday-Friday, August 16-21, 2009 XVIII INTERNATIONAL MATERIALS RESEARCH CONGRESS 2009

Location: Cancun, Mexico
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 27-29, 2009 Fundamental Aspects of Deterministic Thermostats

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Friday, July 22-24, 2009 Thermoelectric Transport: Progress in First Principles and Other Approaches, and the Interplay with Experiment

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 20-22, 2009 Reflections on Metal/Ceramic Interface Design

Organization: CECAM ETHZ
Location: Zurich, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Saturday, July 15-18, 2009 New Trends in Simulating Colloids: from Models to Applications

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 13-15, 2009 Computer Simulation Approaches to Study Self-Assembly: From Patchy Nano-Colloids to Virus Capsids

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Saturday, July 8-11, 2009 Structural Transitions in Solids: Theory, Simulations, Experiments and Visualization Techniques

Organization: CECAM USI
Location: Lugano, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 6-8, 2009 Dopants and Impurities in Semiconducting Nanowires

Organization: CECAM HQ EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Wednesday-Friday, June 17-19, 2009 Fourth International Conference on Computational Methods and Experiments in Materials Characterisation 2009

Organization: Wessex Institute of Technology
Location: Ashurst Lodge, The New Forest, UK, 9:00 am
Contact: Alice Jones, enquiries@wessex.ac.uk, 02380 293223
Description: The objective of this conference is to bring together researchers who use computational methods, those who perform experiments, and of course those who do both, in all areas of materials characterisation, to discuss their recent results and ideas, in order to foster the multidisciplinary approach that has become necessary for the study of complex phenomena. Topics of interest for this Conference range from generic characterisation methods to damage assessment and application to particular materials. Of particular interest is the synergy between computational methods and experimental procedures.

Monday-Wednesday, June 15-17, 2009 Orbital Magnetization in Condensed Matter

Organization: CECAM-HQ-EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, June 8-10, 2009 Which Electronic Structure Method for the Study of Defects?

Organization: CECAM-HQ-EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, May 25-27, 2009 Computer Simulation in Food Science: CFD meets Soft Matter

Organization: CECAM-HQ-EPFL
Location: Lausanne, Switzerland
Notes: MCC is offering travel support for this event.

Monday-Wednesday, May 11-13, 2009 Computational Studies of Defects in Nanoscale Carbon Materials

Location: Lausanne, Location : CECAM-HQ-EPFL, , Switzerland
Notes: MCC is offering travel support for this event.

Thursday-Saturday, January 8-10, 2009 14th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

Organization: Trieste ICTP
Location: Trieste, Italy

Tuesday-Friday, December 9-12, 2008 AT THE FRONTIERS OF CONDENSED MATTER IV:, CURRENT TRENDS AND NOVEL MATERIALS*

Description: The workshop "At the Frontiers of Condensed Matter IV: Current trends and novel materials" (FCM2008) is going to be held in Buenos Aires from December 9 to 12, 2008. Its main objective is to bring together researchers working at the frontiers of Condensed Matter Physics to present and discuss problems of current interest.
Notes: MCC is offering travel support for this event.

Tuesday-Friday, December 9-12, 2008 AT THE FRONTIERS OF CONDENSED MATTER IV:, CURRENT TRENDS AND NOVEL MATERIALS*

Description: The workshop "At the Frontiers of Condensed Matter IV: Current trends and novel materials" (FCM2008) is going to be held in Buenos Aires from December 9 to 12, 2008. Its main objective is to bring together researchers working at the frontiers of Condensed Matter Physics to present and discuss problems of current interest.
Notes: MCC is offering travel support for this event.

Friday-Sunday, December 5-7, 2008 World Congress of Gene 2008 (WCG-2008), China

Organization: BIT Life Sciences
Location: Guangzhou,, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: The 2nd Annual World Congress of Gene is a major congress which shares the revolutionary developments in life sciences since the discovery of the double helix and setting the stage for the advancement of biology and medicine in the 21st century. This congress will promote the Gene technology developments and collaborations world wide.

Tuesday-Thursday, December 2-4, 2008 World Congress of Regenerative Medicine & Stem Cell (RMSC-2008), China

Organization: BIT Life Sciences
Location: Guangzhou,, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: RMSC-2008, with the theme of “Re-creation of Life, Reconstruction of Happiness”, which focuses on building a bridge between the researchers, investors and the manufacturers in the field of Regenerative Medicine & Stem Cell all over the world. More than 200 specialists deliver presentations on their current research and contribute their valuable experience and knowledge to move the Regenerative Medicine & Stem Cell research and development agenda forward.

Monday-Sunday, December 1 - October 5, 2008 World Vaccine Congress 2008, China

Organization: BIT Life Sciences
Location: Guangzhou,, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: "The Congress will be the largest meeting devoted exclusively to the research on vaccines and asociated technologies for disease prevention and treatment. There are 78 sessions and 5 workshops will be included in the event."

Monday-Wednesday, October 27-29, 2008 Joint ICTP-KFAS Workshop on Nanoscience for Solar Energy Conversion

Location: AGH (Kastler Lecture Hall), Trieste, Italy
Contact: Directors: F. De Angelis, Md. Khaja Nazeeruddin. Local Organizer: R. Gebauer, smr1938@ictp.it
Applications due: Tuesday, July 15, 2008
Description: This workshop will address the fundamental principles, basic processes and technological challenges of solar energy conversion in nanostructured materials. Both experimental topics and theoretical approaches (using computer simulations) will be covered. Sponsored by ICTP. Co-supported by ICMR-UCSB and the Central European Initiative
Notes: MCC is offering travel support for this event.

Wednesday-Tuesday, October 22-28, 2008 Expo of Molecular Diagnostics (CEMD-2008), China

Organization: BIT Life Sciences
Location: Beijing & Xi’an, China, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: This Congress and Expo is organized by BIT life sciences, dedicated to building a platform of the molecular diagnostics industry, as well as to provide insight from key industry leaders concerning cutting-edge molecular diagnostics technology. CEMD-2008 will also provide an integral forum for leaders in trends of MD, in major diseases treatment to share ideas, network with other delegates, deliver new products and advance understanding of the potential of new molecular diagnostics technologies.

Saturday-Wednesday, October 18-22, 2008 International Drug Discovery Science and Technology (IDDST)-2008, China

Organization: BIT Life Sciences
Location: Beijing, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: (IDDST)-2008, with the theme of ‘One World, One Hope’, which has more than 600 drug discovery specialists from a wide range of disciplines will participate in the scientific program and deliver the information with latest developments in the basic and clinical research. The conference has the additional goal of spreading and increasing the understanding of modern biological sciences among the lay public which has broad public support.

Saturday-Wednesday, October 11-15, 2008 Biotechnology Venture Capital Forum，China

Location: Dalian, China
Contact: Bridget Qiao, bridget@bitlifesciences.com, 0086-411-84799609 EXT 811
Description: Bio-vc Forum, 2008, with the theme of ’Invest in Biotechnology, Invest for Future’, will serve as a bridge that links together companies, small and medium-sized enterprises, institutes, universities, science & technology parks, business incubators and VC firms. The Forum will feature a more than 200 business plan competition and One-on-one investor meetings.

Monday-Friday, September 15-19, 2008 Ab Initio Modelling in Solid State Chemistry - MSSC2008

Organization: Imperial College London
Location: London, England
Contact: Damian Jones, d.r.jones-->dl.ac.uk
Description: The week long school is designed for PhD students, Post-Docs and researchers with interests in solid state chemistry, physics, materials science, surface science, catalysis, magnetism and nano-science. It will provide both an introduction to the capabilities of quantum mechanical simulation and to the practical use of CRYSTAL06 (http://www.crystal.unito.it).

Monday-Saturday, September 15-20, 2008 Carbon Nanotubes & Related Objects Summer School 2008

Location: Italy
Contact: naphod-school-->rug.nl
Registration cost: 900.00

Wednesday-Friday, September 3-5, 2008 International SPINSWITCH Workshop

Location: Krakow, Poland
Contact: spinwork@agh.edu.pl
Register before: Monday, March 31, 2008
Description: The Transfer of Knowledge Workshop is aimed at exchanging of information related to fundamental understanding of the phenomena ssociated with the current-induced spin-momentum transfer.

Monday-Friday, September 1-5, 2008 2nd European School on Multiferroics (ESMF-2)

Organization: Campus Universitat Girona
Location: Girona, Italy
Applications due: Tuesday, July 1, 2008
Description: The lectures will cover understanding of relevant ferroic properties (ferroelectricity, ferromagnetism and ferroelasticity), as well as an overview on ferroic materials and finally, the more complex world of multiferroicity and multiferroic materials will be addressed. Emphasis on unconventional approaches to multiferroicity will be discussed.
Notes: MCC is offering travel support for this event.

Sunday-Sunday, August 31 - September 14, 2008 Third Psi-k Nanoquanta school and workshop proposal on Time-Dependent Density-Functional Theory: Prospects and Applications

Location: Benasque, Spain
Contact: E. K. U. Gross, hardy-->physik.fu-berlin.de
Registration cost: 110.00 euro
Notes: MCC is offering travel support for this event.

Sunday-Friday, August 24-29, 2008 International Conference on Defects in Insulating Materials

Abstracts due: Friday, February 1, 2008
Description: ICDIM2008 will be held in Aracaju, capital of Sergipe State, in the northeast region of Brazil, from 24 to 29 August 2008. This is the 16th meeting in the conference series that began in 1956 at Argonne, USA. The Conference deals with defect-related phenomena in materials widely used in a number of different applications requiring extremely high optical transparency in different spectral regions, or strong interaction with X- or gamma rays and high-energy particles, or mass and charge transport process in solid state. New challenges in energy storage and production are included in the current topics covered by the conference, as well as the development of sensors and smart materials. Typical application fields are optical communication systems, spectroscopy, digital medical radiography and tomography, dosimetric systems in radiation protection and radiation imaging media, scintillators, photorefractive and electro-optic materials, optical fibres, lasers, materials for micro-electronics, solid electrolytes, fuel cells, electrochemical sensors and fast ionic conductors. In the focus of attention are novel nanoscale materials for applications in photonics. The important dates are: 20th April 2008 Acceptance Letter 24th May 2008 Reduced fees deadline 2429th August Conference The conference venue is Hotel Parque dos Coqueiros (Coconut Palm Tree Park Hotel - http://www.hotelparquedoscoqueiros.com.br/). Please, visit the ICDIM2008 conference homepage at http://www.fisica.ufs.br/ICDIM2008, or send an e-mail to icdim2008-->fisica.ufs.br, if you require any extra information.

Sunday-Friday, August 24-29, 2008 Workshop DFT meets Experiment & 7th Tutorial Hands-on-FPLO

Presenter(s): ;Presenter(s): Igor Abrikosov, Linköping University, Sweden Volker Blum, Fritz-Haber Inst. Berlin, Germany Bernard Delley, PSI Villingen, Switzerland Olle Eriksson, Uppsala University, Sweden (not confirmed) Paolo Giannozzi, Universita di Udine, Italy Markus Gruner, University of Duisburg-Essen, Germany Martin Knupfer, IFW Dresden, Germany Clemens Laubschat, TU Dresden, Germany Pavel Novak, Inst. of Phys., Prague, Czech Republic Ingo Opahle, Goethe-Universität Frankfurt/Main, Germany Eitel L. Peltzer y Blanca, Universidad Nacional de La Plata, Argentine (not confirmed) Warren Pickett, UC Davis, USA Ulrich Schwarz, MPI-CPfS Dresden, Germany Ferenc Tasnadi, Linköping University, Sweden Alexander A. Tsirlin, Moscow State University, Russia Ruben Weht, CNEA, San Martin, Argentine (not confirmed) Jochen Wosnitza, FZ Rossendorf, Germany
Register before: Thursday, July 10, 2008
Description: The Workshop DFT meets Experiment is intended to foster the interaction between the electronic structure community and experimentalists working in related fields. Invited lectures will have a review character and ample time for discussion will be reserved.

Monday-Friday, August 18-29, 2008 The CAMD Summer School Electronic Structure Theory and Materials Design

Location: Technical University of Denmark, Lyngby, Denmark
Contact: Thomas Bligaard, bligaard-->fysik.dtu.dk
Description: The primary purpose of this summer school is to provide an introduction to density functional theory with particular emphasis on practical methodology and implementation aspects. Extensions beyond the standard DFT formalism will also be discussed.

Sunday-Friday, August 10-15, 2008 Grand Challenges of Electron Chemistry and Catalysis at Interfaces

Location: Santa Barbara, California
Description: The workshop seeks to foster discussion between leading and new practitioners in heterogeneous catalysis and surface science, about the most important challenges we face in designing selective and efficient catalysts. Together, we will explore new experimental methods, new computational approaches, new model systems, and new applications of catalysis through a series of plenary and invited lectures as well as interactive sessions. The workshop is suitable for advanced graduate students and post-docs, faculty researchers, and industry professionals.

Monday-Friday, August 4-8, 2008 17th International Conference on the Discrete Simulation of Fluid Dynamics (DSFD 2008)

Location: Florianopolis, Brazil
Description: The DSFD series of conferences originated with the historic 1986 Los Alamos conference on lattice-gas models organized by Doolen et al. Since that time, the DSFD conferences have emerged as a premiere forum for researchers in the field, and many exciting new discoveries in lattice models of fluid dynamics have been first announced at DSFD conferences. Topics emphasized at these meetings include lattice gas automata (LGA), the lattice Boltzmann equation (LBE), discrete velocity methods (DVM), dissipative particle dynamics (DPD), smoothed-particle hydrodynamics (SPH), direct simulation Monte Carlo (DSMC), stochastic rotation dynamics (SRD), molecular dynamics (MD), and hybrid methods. There will be sessions on advances in both theory and computation, on engineering applications of discrete fluid algorithms, and on fundamental issues in statistical mechanics, kinetic theory and hydrodynamics and their applications in Micro, Nano and Multiscale Physics for emerging technologies. Other topics of interest also include theoretical and experimental work on interfacial phenomena, droplets, free-surface flow, and micro and nanofluidics.

Sunday-Wednesday, August 3-6, 2008 Fifth International Conference on Physics and Applications of Spin-related Phenomena in Semiconductors (PASPS V)

Location: Foz do Iguaçu, PR, Brazil
Contact: Guilherme M. Sipahi, proceedings-pasps-v@ifsc.usp.br, +55 16 3373 9856
Abstracts due: Saturday, March 15, 2008
Registration cost: USD
Description: PASPS V will highlight the latest theoretical and experimental developments in new semiconductor spintronic materials and devices as well as advances in metallic magnetoelectronics.
Notes: MCC is offering travel support for this event.

Sunday-Sunday, August 3-10, 2008 Quantum Monte Carlo and the CASINO program III

Organization: The Towler Institute
Location: Vallico Sotto, Tuscany, Italy
Contact: Mike Towler, mdt26 at cam.ac.uk
Registration cost: 400.00 GBP
Description: The third international summer school in the series "Quantum Monte Carlo and the CASINO program" will take place during August 2008 at the Towler Institute monastery in the Tuscan Apuan Alps, organized and hosted by members of Cambridge University physics department’s Theory of Condensed Matter (TCM) Group. The aim of the school is to give students a thorough introduction to quantum Monte Carlo as a method for performing high-quality calculations of the electronic structure of real materials. The course is designed for young scientists who have no previous experience with this technique, though anyone interested is welcome to take part.

Tuesday-Saturday, July 29 - August 2, 2008 INTERNATIONAL CONFERENCE ON STRONGLY COUPLED COULOMB SYSTEMS

Location: University of Camerino, Marche, Italy
Abstracts due: Friday, April 18, 2008

Tuesday-Saturday, July 29 - August 2, 2008 INTERNATIONAL CONFERENCE ON STRONGLY COUPLED COULOMB SYSTEMS (SCCS-2008)

Location: Camerino, Italy
Contact: David Neilson, david.neilson-->unicam.it

Sunday-Saturday, July 27 - August 9, 2008 ICMR Summer School on Periodic Structures and Crystal Chemistry

Organization: ICMR
Location: Santa Barbara, California
Description: The emphasis of the school will be to introduce newly emerging methods in the description, design and geometrical analysis of crystal structures, particularly open-framework materials such as zeolites and MOF’s. Frontier research areas will be introduced, but the emphasis will on fundamentals. Instruction and exercises will be at a demanding pace but there will be a three-day break in the middle during which students will be encouraged to audit presentations at a workshop on theoretical and experimental aspects of the design and synthesis of zeolites and related materials.

Monday-Tuesday, July 21-22, 2008 Molecular Dynamics for Non-Adiabatic Processes

Description: Nanoscale phenomena, spanning multiple disciplines, share a unifying core problem: excitations away from equilibrium that evolve through non-adiabatic processes. Numerous techniques for modelling these have been designed and are undergoing rapid further development, usually within individual disciplines. A meeting is to be held to survey the spectrum of molecular dynamics based methods in order to highlight their strengths and weaknesses and to establish fundamental connections between them.

Monday-Friday, July 14-25, 2008 African School on Electronic Structure Methods and Applications *

Organization: ICTP
Location: African Institute for Mathematical Sciences, Cape Town, South Africa
Contact: smr1979@ictp.it

Monday-Friday, July 7-11, 2008 15th International Conference on Luminescence and Optical Spectroscopy of Condensed Matter

Organization: University of Lyon
Location: Lyon, France
Description: The scope of the conference covers theoretical and experimental aspects of luminescence phenomena in both bulky and nano-crystals of organic and inorganic materials. Insulators, semiconductors, disordered and amorphous materials, clusters and nano-clusters are included. The meeting will include invited lectures, contributed presentations and posters of the following topics: # 1- Nature of luminescence centres, excited-state dynamics, energy transfer, thermo-luminescence, # 2- Excitons, polaritons and collective phenomena, # 3- Optical spectroscopy in molecular and biological systems, # 4- Disordered and amorphous materials,#5- Nanocrystals, quantum-structured materials and micro-cavities, # 6- Single molecule, single-particle and quantum-dot spectroscopy, # 7- Near-field microscopy and spectroscopy, # 8- Transient phenomena and coherent processes; picosecond and femtosecond spectroscopy, # 9- High-density excitation and nonlinear effects in optical processes, # 10- Non-radiative processes and non-equilibrium phonon effects; hot luminescence, # 11- Electric field induced, organic and inorganic electroluminescence, OLED and FED, # 12- New luminescent materials, new synthesis, new methods, new phenomena, and # 13- Applications in technology and related topics. As in the previous ICL Conferences, all accepted manuscripts will be published in a special issue of Journal of Luminescence.

Wednesday-Friday, July 2 - August 1, 2008 Summer School on Multiferroic Materials and Beyond

Organization: International Center for Materials Research at the University of California, Santa Barbara
Location: Santa Barbara, California
Contact: Jennifer Ybarra, ybarra --> icmr.ucsb.edu
Applications due: Tuesday, April 1, 2008
Description: The goal of the school will be to present a comprehensive picture of the state of the art in the field of multiferroic oxides with an emphasis on the theory of the coexistence and mutual interaction of different orders and fundamental aspects of the broken symmetries, the search for new compounds exhibiting magneto-electric coupling and multiferroicity, and the novel physical phenomena that result - for instance, extremely complex magnetic phase diagrams, ferroelectricity induced by magnetic order, the rotation or complete reversal of the ferroelectric polarization in magnetic field, ferromagnetic order induced by electric as well as magnetic fields, and the discovery of new elementary excitations. The summer school is designed to encourage cross-fertilization of ideas among the participants.

Monday-Friday, June 30 - July 18, 2008 2008 Boulder Summer School Strongly Correlated Materials

Location: Boulder, Colorado
Contact: Colin Broholm, Piers Coleman, Allan MacDonald, Ashvin Vishwanath
Description: The 2008 Boulder school presents a leading team of experimental and theoretical condensed matter physicists to lecture on diverse aspects of this burgeoning field of research. The school will focus primarily on pedagogy, seeking to provide students with a firm foundation in the key theoretical and experimental methods, with extensive opportunities for informal and detailed discussion. Topics to be covered include fundamentals of Fermi liquid theory, magnetism and low dimensional materials, organic, oxide and heavy electron materials, diverse methods of spectroscopy and transport measurements and the link with strongly correlated physics of atom traps.

Monday-Friday, June 30 - July 4, 2008 Low-Energy Electrodynamics in Solids 2008

Organization: The University of British Columbia and Simon Fraser University
Location: Four Seasons Resort, Vancouver-Whistler, British Columbia
Applications due: Saturday, March 1, 2008
Description: The University of British Columbia and Simon Fraser University are pleased to host the International Conference on Low-Energy Electrodynamics in Solids 2008 (LEES 08), Vancouver-Whistler, British Columbia, June 30 - July 4, 2008. LEES 08 will be a forum for the interdisciplinary discussion of the low-energy electrodynamics of solids, at both the theoretical and experimental level, with specific emphasis on the electronic and magnetic properties of quantum materials. The conference will be held at the Four Seasons Resort in Whistler village, located 130 km from the city of Vancouver. Whistler will host the 2010 Olympic Winter Games and is a spectacular mountain resort in the summer. Early registration is advised, as participation is limited to about 80 attendees. The registration deadline is March 1, 2008. Please visit the conference website for on-line registration and additional information concerning program and accommodation: www.ampel.ubc.ca/lees08

Friday-Tuesday, June 27 - July 1, 2008 8th Liquid Matter Conference

Location: Lund, Sweden
Applications due: Friday, February 15, 2008
Description: The meeting consists of a series of invited lectures together with contributed oral and poster presentations.

Tuesday-Friday, June 24-27, 2008 12th European Conference on Physics of Magnetism

Location: Poznan, Poland
Abstracts due: Saturday, March 1, 2008
Description: The Conference is meant as an international forum for the presentation and discussion of novel scientific ideas, in a field of broadly understood magnetic phenomena, experimental results and new magnetic materials. A special emphasis will be focused on: 1. Strongly Correlated Electrons and High Temperature Superconductivity 2. Quantum and Classical Spin Systems 3. Magnetic Structure and Dynamics 4. Spin Electronics and Magneto-Transport 5. Nano-structure, Surfaces, and Interfaces 6. Soft and Hard Magnetic Materials 7. Applications

Wednesday-Friday, June 18-20, 2008 Recent Developments in Electronic Structure*

Organization: University of Illinois
Location: Materials Research Laboratory, Urbana, Illinois
Contact: David Ceperley, Local Chair, workshops@mcc.uiuc.edu
Description: The program will consist of invited oral presentations and contributed posters describing new methods for computing previously inaccessible properties, breakthroughs in computational efficiency and accuracy, and novel applications of these approaches to the study of molecules, liquids, and solids.
Notes: This year marks the 20th anniversary of this workshop series.

Monday-Friday, June 16-20, 2008 Theoretical and Computational Chemistry Summer School

Organization: Theoretical and Computational Chemistry Reference Network)
Location: Universitat de Barcelona, Barcelona, Spain
Contact: szafra-->fbg.ub.es
Applications due: Friday, May 30, 2008
Registration cost: 150.00 Euro
Description: The Theoretical and Computational Chemistry Summer School is an initiative of the Catalan Theoretical and Computational Chemistry Reference Network with the intention of creating a tool for the diffusion of the latest developments in the field of chemistry today, with special emphasis on the role played by the different branches of theoretical chemistry in the comprehension and modelling of the phenomena involved. We also believe that it is important to provide a forum for learning about the work being carried out by the different research groups that make up the network. Our purpose is therefore to maintain ―within the specific possibilities of each research subject― an equilibrium between the Network members and external scientists in the teaching team. The international scope of the school, which will be conducted in English, will be further enhanced by the participation of foreign professors.
Notes: MCC is offering travel support for this event.

Sunday-Friday, June 8-13, 2008 2008 Gordon Conference on Physics Research and Education

Organization: Bryant University
Location: Smithfield, Rhode Island, USA
Description: The 2008 Gordon Research Conference on Physics Research and Education, the fifth in this series of conferences, will focus on the expanding and deepening role of computers in physics research and instruction, with particular emphasis on undergraduate education. The purpose of this conference is to survey how computational physics is currently being used, to identify problems where computation helps students understand key physics concepts, and to assess the effectiveness of computational-physics instruction. The conference will highlight current efforts to incorporate computational physics and other computer-based methods (such as simulations and visualizations) into the physics classroom. The format of the conference - which will include invited plenary sessions, contributed poster presentations, and generous amounts of unscheduled time for informal discussions - is specially designed to promote dialogue and cross-fertilization of ideas between educators and researchers at the forefront of their fields, including researchers in physics education. College and university faculty, research associates (postdocs), computational-physics textbook authors, curriculum and educational software developers, and graduate and undergraduate students are invited to participate.

Saturday-Sunday, June 7-1, 2008 XXXVII International School on the Physics of Semiconducting Compounds Jaszowiec 2008

Location: Ustron-Jaszowiec, Poland
Applications due: Friday, March 14, 2008
Registration cost: 480.00 USD
Notes: MCC is offering travel support for this event.

Tuesday-Friday, June 3-6, 2008 Chaotic Modeling and Simulation International Conference (CHAOS2008)

Location: Chania, Crete, Greece
Description: The general topics and the special sessions proposed for the Conference (Chaos2008) include but are not limited to: Chaos and Nonlinear Dynamics, Stochastic Chaos, Chemical Chaos, Data Analysis and Chaos, Hydrodynamics, Turbulence and Plasmas, Optics and Chaos, Chaotic Oscillations and Circuits, Chaos in Climate Dynamics, Geophysical Flows, Biology and Chaos, Neurophysiology and Chaos, Hamiltonian systems, Chaos in Astronomy and Astrophysics, Chaos and Solitons, Micro- and Nano- Electro-Mechanical Systems, Neural Networks and Chaos, Ecology and Economy.

Monday-Friday, May 26 - June 6, 2008 SUSSP 2008 on High Pressure Physics

Organization: University of Edinburgh
Location: Sabhal Mòr Ostaig Gaelic College, Isle of Skye, Island of Skye, Scotland
Contact: Malcolm McMahon
Applications due: Saturday, March 1, 2008
Registration cost: 750.00 BPS
Notes: MCC is offering travel support for this event.

Friday-Wednesday, May 23-28, 2008 Topological & Geometric Graph Theory

Location: Paris, France
Contact: Patrice Ossona de Mendez, pom@ehess.fr

Monday-Friday, May 12-16, 2008 Modern Concepts for Creating and Analyzing Surfaces and Nanoscale Materials

Location: Hotel Eden Roc, Costa Brava, Girona, Spain
Contact: Kristen Fichthorn, Matthias Scheffler, fichthorn -- > psu.edu; scheffler --> fhi-berlin.mpg.de
Applications due: Friday, February 29, 2008
Registration cost: 620.00 euro
Notes: MCC is offering travel support for this event.

Monday-Friday, May 12-16, 2008 Workshop on Modern Concepts for Creating and Analyzing Surface and Nanoscale Materials

Location: Hotel Eden Roc, Girona, Spain
Contact: Kristen Fichthorn, fichthorn-->psu.edu
Registration cost: 620.00 euro
Description: This is a Marie Curie Training Workshop. It is ideally suited for young researchers (graduate students, postdocs, junior faculty) from physics, chemistry, and materials sciences who seek to come abreast with the latest developments in the field and discuss their own research projects with their peers and senior experts. For details on the prominent invited speakers, the workshop program, venue, and application please see http://www.fhi-berlin.mpg.de/th/Meetings/MarieCuriePsik2008 The conference fee is 620 Euro which covers all the conference activities, as well as accommodation, meals, transfer from Barcelona, and the outing event. All room reservations will be made directly by the organizers. To apply, please submit the online application: http://www.fhi-berlin.mpg.de/th/Meetings/MarieCuriePsik2008/formular.php on the above website (or send an e-mail to one of the organizers with your brief statement of motivation, resume, and a preliminary title of your poster contribution). Please do so as soon as possible and before 31 January 2008. Young attendees may receive some financial support, please indicate your needs and reasoning when applying. If you are from the U.S. you should apply for support from the MCC Travel Award Program: http://www.mcc.uiuc.edu/travel/

Monday-Thursday, March 31 - April 3, 2008 New Horizons in Modelling Surface Processes

Organization: University College London
Location: London, England
Contact: Emma Leighton, Angelos Michaelides, e.leighton-->ucl.ac.uk angelos.michaelides-->ucl.ac.uk

Sunday-Saturday, March 30 - April 5, 2008 International School on Vibrational Spectroscopies: A hands-on introduction to ABINIT

Location: Queretaro, Mexico
Contact: Aldo H. Romero, CINVESTAV-Queretaro, abinit-->qro.cinvestav.mx
Abstracts due: Sunday, February 10, 2008
Description: The six days and half school will introduce the different theoretical techniques to calculate vibrational properties and their relation with some spectroscopies like Raman, Infrared, Neutron, etc, and properties like elastic constants, piezoelectricity, superconductivity and the specific heat.

Wednesday-Sunday, March 26-30, 2008 15th WIEN2k Workshop

Location: Vienna, Austria
Contact: Karlheinz Schwarz, kschwarz-->theochem.tuwien.ac.at
Description: The WIEN2k code is presently used worldwide by more than 1200 groups. It allows to calculate the electronic structure of solids and surfaces using density functional theory (DFT) and is an all-electron full-potential method using the Linearized Augmented Plane Wave plus local orbital (L/APW+lo) scheme. In the workshop the underlying concepts and their implementations will be described and in hands-on exercises the participants will learn how to use the code and interprete the results.

Wednesday-Friday, February 27-29, 2008 International Conference on Materials Science Research and Nanotechnology ICMSRN 2008

Location: Mother Teresa Womens University, Kodaikanal, Tamil Nadu, India
Contact: Dr. Rita John, icmsrn_2008@yahoo.com
Applications due: Wednesday, July 8, 2020

Monday-Friday, February 25-29, 2008 Exact-exchange and hybrid functionals meet quasiparticle energy calculations

Location: Berlin, Germany
Contact: Patrick Rinke and Matthias Scheffler, rinke --> fhi-berlin.mpg.de
Abstracts due: Thursday, November 8, 2007
Register before: Monday, February 11, 2008
Description: The forum combines an invited symposium with contributed oral and poster sessions in a mini-workshop-like environment.
Notes: MCC is offering travel support for this event.

Thursday-Friday, January 24-25, 2008 Spectroscopy of Nano-particles Workshop

Location: Coseners House, Abingdon, Oxford
Registration cost: 25.00 British Pounds
Description: This workshop aims to bring together experimental and theoretical scientists working on spectroscopy of nano-particles. The workshop will aim to highlight the challenges as well as the current state of the art in the field. Contributed talks and posters are welcome. The meeting will include a visit to the Diamond Light Source and a discussion session on prospects and development areas in collaboration with the facility. Please see website for more details.

Monday-Saturday, January 21 - February 2, 2008 Advanced School on Quantum Monte Carlo Methods in Physics and Chemistry

Location: Trieste, Italy
Contact: C. Filippi, S. Moroni, S. Sorella, C. Umrigar, S. Zhang
Description
Notes: MCC is offering travel support for this event.

Monday-Friday, January 14-25, 2008 US Particle Accelerator School

Organization: University of California at Santa Cruz
Location: Santa Rosa, California, USA
Contact: uspas-->fnal.gov, 630-840-3896
Description: The U.S. Particle Accelerator School is offering a program of university-style credit courses sponsored by the University of California at Santa Cruz and held in Santa Rosa, California from January 14-25, 2008. Participants can earn 4 quarter units of credit from UC-Santa Cruz in two weeks. We offer an undergraduate fundamentals course as well as eleven specialized graduate-level courses. Financial support is available to those who qualify. Students not receiving financial support can audit their course. Please visit http://uspas.fnal.gov for full course descriptions and an electronic application form. For further information please contact the USPAS Office at uspas-->fnal.gov or by phone at 630-840-3896.

Thursday-Saturday, January 10-12, 2008 Progress in Computational Electronic Structure Theory

Contact: Erik Koch, e.koch-->fz-juelich.de
Description: The aim of the workshop is to give an overview of recent advances in calculation of the electronic structure of real materials. In the spirit of the previous workshops in the series, it will bring together practitioners from different parts of the electronic structure community and strive to enable the exchange of ideas between the fields ranging from method development to applications.

Sunday-Tuesday, December 16-18, 2007 98th Statistical Mechanics Conference

Organization: Rutgers University
Location: 114 Hill Center
Presenter(s): ;Presenter(s): Mahesh Bandi, Andrea Bertozzi, Lesser Blum, Bulbul Chakraborty, Susan Coppersmith, Siegfried Dietrich, Charles Doering, Aleksander Figotin, Michael Fisher, Gabor Forgacs, Seth Fraden, Peter Fratzl, Sharon Glotzer, Italo Guarneri, Pierre Hohenberg, Stanislas Leibler, Jackson Mayo, Zohar Nussinov, Adrian Parsegian, David Pine, Mark Ratner, Daniel Rothman, Beate Schmittmann, Eugene Shakhnovich, Alan Sokal, Gene Stanley, Henk VanBeijeren, Michael Vogelius, John Weeks, Ron Weiss, Ben Widom,Michael Widom, Robert Ziff.
Registration cost: 120.00 USD
Description: This meeting will honor some of the outstanding experimental colleagues, Guenter Ahlers, Herman Cummins, Jerry Gollub, Anneke Sengers, and Harry Swinney. A more complete program will be sent out soon. You can get updated additional information about ALL ASPECTS of the meeting at the site: http://www.math.rutgers.edu/events/smm/index.html. Please respond at: http://www.math.rutgers.edu/events/smm/res-formI.html. If you know of any colleagues or students who should be added to the mailing list, or positions wanted or available, etc.

Thursday-Saturday, December 6-8, 2007 2-d WORKSHOP ON AB INITIO PHONON CALCULATIONS

Organization: Pedagogical University
Location: Cracow, Poland
Description: Phonons are the fundamental excitations which represent the elementary vibrations in solid state materials, and to large extend define the materials thermodynamics, and finite temperature properties. They play an important role for quite a number of phenomena mentioning only the thermal expansion, temperature dependence of mechanical properties, phase transitions, and phase diagrams. In surfaces, interfaces, multilayers, crystals with defects and impurities, etc. the role of phonons have not yet been understood completely.

Thursday-Thursday, December 6-13, 2007 ICMS-ICMR Winter School

Location: Jawaharlal Nehru Center for Advanced Scientific Research, Bangalore, India
Contact: Jennifer Ybarra, Ybarra-->icmr.ucsb.edu
Applications due: Friday, September 21, 2007
Description: The International Center for Materials Research (ICMR) is pleased to announce a residential, one week Winter School on the Physics and Chemistry of Inorganic Materials, a partnership between the ICMR and the JNCASR. The winter school will take place from December 6 to December 13, 2007 at the Jawaharlal Nehru Center for Advanced Scientific Research in Bangalore, India. The aim of this school is to bring young researchers and scientists together to enable them to learn and to discuss the diverse aspects of the physics and chemistry of inorganic materials. Travel fellowships are available and local hospitality will be provided. Please visit the following website for further details: http://www.icmr.ucsb.edu/programs/winterschool2007.html If you have any questions, please feel free to contact Jennifer Ybarra, Ybarra-->icmr.ucsb.edu. DEADLINE TO SUBMIT AN APPLICATION IS FRIDAY, SEPTEMBER 21ST .

Wednesday-Friday, December 5-7, 2007 Towards Reality in Nanoscale Materials

Location: Lapland, Finland
Contact: Adam Foster, asf-->fyslab.hut.fi
Description: The aim of this proposed workshop is to bring together representatives of solid-state physics and materials science communities who use theoretical computational tools to present and discuss state-of-the-art developments and perspectives of solid-state, computational and molecular physics techniques in modeling of non-ideal nanoscale materials. In addition to theoretical advances, progress in experiments will be covered by several invited speakers who are experts in the relevant experimental areas.

Monday-Friday, November 26-30, 2007 High performance density functional theory: wavelets, order(N) scaling, parallelism

Organization: CECAM
Location: Lyon, France
Contact: Thierry Deutsch,Xavier Gonze,Stefan Goedecker,Reinhold Schneider
Notes: MCC is offering travel support for this event.

Monday-Tuesday, November 12-13, 2007 Defining the Interface between Nanoscience and Geology, 3rd Annual Cornell Nanoscale Facility Fall Workshop

Organization: Cornell Nanoscale Facility & NNIN
Location: Ithaca, New York, USA
Contact: Derek Stewart, stewart@cnf.cornell.edu
Register before: Wednesday, October 31, 2007
Description: While nanoscale research and geology at first glance deal with vastly different time and length scales, several areas exist where nanoscale research can have profound impacts on geologic questions. Density functional approaches provide crucial tools for predicting high pressure crystal structures beneath the Earth’s crust. Calculated phonon dispersions can also be linked to seismology research. While biomineralization creates macroscale structures like shells and coral, the nanoscale process that organisms use to create large inorganic structures is still largely unknown. This workshop will provide morning lectures on the theory behind different approaches followed by hands-on sessions on each code. In some cases, participants will be able to learn directly from the code’s creators. In addition, complimentary presentations on current experimental efforts will also help define high-impact areas for future simulation efforts. Financial assistance may be possible for graduate student participants. Spaces are limited, so please apply early.

Thursday-Saturday, November 8-10, 2007 Modelling and simulation of friction at the nanoscale: from understanding to control

Organization: CECAM
Location: Lyon, France
Contact: Claudio Fusco, Andrea Vanossi
Notes: MCC is offering travel support for this event.

Wednesday-Thursday, October 31 - November 1, 2007 2007 Huntsville Simulation Conference

Organization: The Alabama Modeling and Simulation Council
Location: Marriott Hotel, Huntsville, Alabama, USA
Description: The 2007 Huntsville Simulation Conference, sponsored by The Society for Modeling and Simulation International and hosted by The Alabama Modeling and Simulation Council, is scheduled for October 31 and November 1 at the Huntsville Marriott Hotel, Five Tranquility Base, Huntsville, Alabama, with a classified segment October 30 at the Advanced Research Center. Go to http://www.scs.org/hsc to see the Preliminary Program and register on-line.

Monday, October 29, 2007 "Cyber-enabled Discovery and Innovation" Workshop

Description: IPAM is holding a 1-day workshop on October 29, 2007. The workshop is intended to aid those interested in writing proposals to understand the initiative better and to help them in finding collaborators. The NSF is rolling out a major new initiative in late September on Cyber-enabled Discovery and Innovation. This will begin as a $50 million dollar program the first year, and will grow over the next 5 years into a $250 million program. The goal of this workshop is to inform the scientific community about the CDI program, with the aim of eliciting strong proposals involving mathematical scientists. This workshop will be focused on the knowledge extraction aspect of the CDI program. For more information about CDI, see http://www.nsf.gov/news/news_summ.jsp?cntn_id108366 Three types of presentations will be held: An information session with Q&A with a representative from NSF, Several panels where each panelist would present a few slides about what they consider to be the interesting and important questions of long-term significance, followed by a discussion with Q&A. For the program webpage and an online application/registration form, see http://www.ipam.ucla.edu/programs/cdi2007/ .

Sunday-Friday, October 28 - November 2, 2007 International Conference on Complex Systems 2007

Location: Boston, Massachusetts, USA
Description: We are pleased to announce the 7th International Conference on Complex Systems (ICCS 2007) will take place in Boston, Massachusetts on October 28 - November 2, 2007. This conference has two major aims: first, to investigate those properties or characteristics that appear to be common to the very different complex systems now under study; and second, to encourage cross fertilization among the many disciplines involved. Proposals for special sessions or symposia may be sent to: symposia@necsi.org. For more information: http://www.necsi.org/events/iccs7

Monday-Thursday, October 22-25, 2007 International Workshop on Non-Adiabatic Dynamics at Surfaces

Location: Schloss Reisensburg, Germany
Presenter(s): ;Presenter(s): D. Bird, G. Darling, B. Gadzuk, A. Gross, E.K.U. Gross, E. Hasselbrink, S. Holloway, B. Kasemo, Th. Klner, R. Kosloff, G.-J. Kroes, O. Kuehn, S. Louie, N. Marzari, E. Pehlke, M. Persico, M. Rohlfing, A. Rubio, T. Van Voorhis, A. Wodtke
Contact: Karsten Reuter, reuter-->fhi-berlin.mpg.de
Registration cost: 450.00 Euro
Description: Objectives: Electronically non-adiabatic gas-surface interactions have been discussed in order to account for dissociation dynamics observed in molecular beam experiments, or in the context of electron or light emission during adsorption at metal surfaces. Intimately connected to this are mechanisms of energy dissipation to the bulk solid, which, if hindered, could give rise to controversially debated processes like abstraction or "hot" adatom diffusion. A full quantum-mechanical treatment of these phenomena is severely challenged by the lowered symmetry at the solid surface, by the sheer size and complexity of the systems when considering the extended surface, as well as by the time scales over which it is necessary to follow the coupled atomic and electronic motion. The aim of the workshop is to bring together scientists working on different approaches to dynamics on excited state potential energy surfaces, as well as distinguished experimentalists to discuss and promote advances in this field. Format and Application: The number of participants is strictly limited to 50. Apart from the formal sessions of invited contributions, there will be a poster session allowing all participants to present their work. The conference fee is 450 Euro and includes full board and lodging. Applications to participate in the workshop should be sent to Karsten Reuter (reuter-->fhi-berlin.mpg.de).

Monday-Thursday, October 22-25, 2007 International Workshop on Non-Adiabatic Dynamics at Surfaces

Location: Ulm, Germany
Presenter(s): ;Presenter(s): D. Bird, G. Darling, B. Gadzuk, A. Gross, E.K.U. Gross, E. Hasselbrink, S. Holloway, B. Kasemo, Th. Klner, A. Knorr, R. Kosloff, G.-J. Kroes, O. Kuehn, S. Louie, N. Marzari, E. Pehlke, M. Persico, M. Rohlfing, A. Rubio, T. Van Voorhis, A. Wodtke
Contact: Karsten Reuter, reuter-->fhi-berlin.mpg.de
Registration cost: 450.00 euro
Description: International Workshop on "Non-Adiabatic Dynamics at Surfaces" Schloss Reisensburg (close to Ulm, Germany), 22-25 October 2007. Electronically non-adiabatic gas-surface interactions have been discussed in order to account for dissociation dynamics observed in molecular beam experiments, or in the context of electron or light emission during adsorption at metal surfaces. Intimately connected to this are mechanisms of energy dissipation to the bulk solid, which, if hindered, could give rise to controversially debated processes like abstraction or "hot" adatom diffusion. A full quantum-mechanical treatment of these phenomena is severely challenged by the lowered symmetry at the solid surface, by the sheer size and complexity of the systems when considering the extended surface, as well as by the time scales over which it is necessary to follow the coupled atomic and electronic motion. The aim of the workshop is to bring together scientists working on different approaches to dynamics on excited state potential energy surfaces, as well as distinguished experimentalists to discuss and promote advances in this field. The number of participants is strictly limited to 50. Apart from the formal sessions of invited contributions, there will be a poster session allowing all participants to present their work. The conference fee is 450 Euro and includes full board and lodging. Applications to participate in the workshop should be sent to Karsten Reuter (reuter-->fhi-berlin.mpg.de).

Monday-Thursday, October 22-25, 2007 Non-Adiabatic Dynamics at Surfaces

Organization: Schloss Reisensburg
Location: Gunzberg/Donau, Germany
Description: Studying chemical reactions requires a detailed knowledge of the underlying potential-energy surfaces (PESs) that govern the nuclear motion. There is growing experimental evidence that many dynamic processes at surfaces are non-adiabatic, i.e., excited states of the system play an important role and the process can no longer be described by the Born-Oppenheimer ground state PES alone. The aim of the proposed workshop is to bring together scientists working on different approaches for excited state PESs to discuss and promote advances in this field. Applications to recent experimental results will be discussed with distinguished experimentalists.

Friday-Sunday, October 19-21, 2007 Workshop on solving the Bogluibove-de Gnnes-Pitaevskii equation for superconductors, superfluids, and nuclei

Description: Pairing and condensation in degenerate Fermi and Bose systems remain at the center of theoretical and experimental research in condensed matter physics. The equations referred to by the names of Bogoliubove, de Gennes and Pitaevskii provide a powerful, unifying conceptual framework for the study of quantum many-body phenomena associated with broken gauge symmetry. Corresponding to the wide range of physical systems , such as superconductors, Bose-Einstein condensates of atoms and rotating nuclei, there are scientific communities which do not meet as often as would be desirable from the point of view of rapid dissemination of new results and conceptual developments. The aim of the proposed workshop is to overcome such natural fragmentation and stimulate cross-fertilization of new ideas in these fields.

Wednesday-Friday, October 10-12, 2007 Hands-on Course KKR band structure and spectroscopy calculations

Organization: University of Munich
Location: Munich, Germany
Description: The workshop aims at introducing theoreticians as well as experimentalists to the use of the KKR bandstructure method and its applicability to the calculation of spectroscopic properties of magnetic solids. A number of lectures will be given to provide the formal background. During the afternoon sessions the participants will have the opportunity to familiarise themselves with the Munich SPR-KKR program package and its user interface XBAND.

Saturday-Sunday, October 6-7, 2007 54th Midwest Solid State Conference

Organization: University of Nebraska-Lincoln (UNL)
Location: Nebraska Union, 8:00 am
Contact: Verona Skomski, vskomski3-->unl.edu
Registration cost: 50.00 USD
Description: This is the final announcement that the Department of Physics and Astronomy of the University of Nebraska-Lincoln (UNL) will host the 54th Midwest Solid State Conference on October 6-7, 2007. The conference will start at 8 a.m. on Saturday, October 6 and end at 12:30 p.m. on Sunday, October 7. The oral presentations will start with the plenary lecture on Saturday morning to be given by Prof. Lu Sham (University of California, San Diego) followed by invited sessions for the duration of the conference. Information about the submission of poster abstracts is posted on the conference website <http://www.unl.edu/ncmn/MSSC54>, and the deadline for the submission of poster abstracts is September 15. The posters will be available for viewing on Saturday afternoon and evening. Five best posters with students as the lead authors will be selected by a group of senior researchers for cash awards. The conference will take place at the Nebraska Union, 14th and R St. in downtown Lincoln. A block of rooms has been reserved at the Holiday Inn Hotel at 141 N. 9th St. (402-475-4011) at a special conference rate of $79 (+tax) per room for up to 2 occupants per room available through September 20, 2007. The hotel is within walking distance of the conference location and located in the historic Haymarket neighborhood, an old warehouse district known for its restaurants and boutiques. The map showing the location of the hotel and the Nebraska Union can be found on the conference web site. Register for the conference by sending a completed registration form along with the registration fee of $50. This fee entitles the participant to the conference banquet on Saturday evening, lunch on Saturday, as well as breakfast and refreshments on Saturday and Sunday during session breaks.

Tuesday-Friday, October 2-5, 2007 Energy flow dynamics in biomaterial systems

Location: Paris Research Center, Paris, France
Presenter(s): ;Presenter(s): Raymond Kapral, Oliver Kuehn, Peter Rossky, Dimitra Markovitsi, Greg Scholes, David Yarkony, Stephen Bradforth, Jeff Krause, Biman Bagchi, Gianaurelio Cuniberti, David Beljonne, Laura Herz, Oleg Preshdo, among others.
Contact: Eric Bittner, bittner@uh.edu
Description: The workshop will be held in Paris at the Paris Research Center (4 rue de Chevreusse, Paris) from the 2nd to 5th of October of 2007. This workshop aims to contribute to developing a cohesive and unified theoretical picture of electronic excitation energy transfer in both biological and nano-structured materials. The main focus will be on the relevant dynamical processes and phenomena.
Notes: MCC is offering travel support for this event.

Monday-Wednesday, October 1-3, 2007 Chirality and Molecular Recognition at Surfaces

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Description: This workshop will be devoted to current experimental and theoretical aspects of chirality in asymmetric heterogeneous catalysis. Two small sessions devoted to asymmetric homogeneous catalysis and, more generally, to molecular recognition at surfaces and selectivity, will also be organised. Therefore several lectures given by selected high-caliber researchers are included in the program.
Notes: MCC is offering travel support for this event.

Tuesday-Sunday, September 25-30, 2007 International Conference on Computational Methods in Science and Engineering 2007

Location: Hotel Marbella, Corfu, Greece
Presenter(s): ;Presenter(s): Reinhart Ahlrichs, University of Karlsruhe, N.Y., Henry F. Schaefer III, University of Georgia
Description: Atomistic Calculations in condensed matter physics, surface physics, and nanophysics. International Conference on Computational Methods in Science and Engineering 2007 (http://www.iccmse.org/) The deadline for submission of papers (or extended Abstracts) for ICCMSE-2007 has been extended till the end of August. All papers on related subjects (from basic theory to computational studies) are welcome. Please send queries and contributions to the Organizer. The contributed papers (3-4 pages) will be published as a collection in the Proceedings Volume to be published by the American Institute of Physics. The conference will take place in Hotel Marbella, Corfu, Greece, 25-30 September 2007. Highlighted Keynote lecture for the symposium will be given by Professor E. N. Economou (University of Crete and Foundation of Research and Technology-Hellas) on "Left Handed Metamaterials: A New Frontier In Optics?" Organizer: Aristides D. Zdetsis, Department of Physics, University of Patras, Greece. E-mail address: zdetsis-->upatras.gr

Thursday-Saturday, September 20-22, 2007 Ionic Transport: from Nanopores to Biological Channels

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Mounir Tarek, mtarek@edam.uhp-nancy.fr
Register before: Saturday, September 1, 2007
Description: The aim of the workshop is to bring together experimentalists and modelers in order to relate the progress made so far and to devise new synergies aimed at understanding fundamental physical mechanisms of ion channel processes including permeation, selectivity and gating; and relating atomic resolution structures of ion channels to their physiological function. Three main topics will be covered: Design principles and properties of model systems & nanotubes - Realistic transport modeling multiscale approaches vs. brute force MD? - Conformational change gating (insights from both experimental and theoretical investigations).
Notes: MCC is offering travel support for this event.

Tuesday-Saturday, September 18-22, 2007 12th NANOQUANTA Workshop on Electronic Excitations: Time-Dependent Density-Functional Theory, advances and prospects

Location: Aussois, France
Contact: Valerio Olevano, valerio.olevano-->grenoble.cnrs.fr

Monday-Friday, September 17-21, 2007 CASTEP Workshop

Organization: University of York
Location: UK
Contact: Dr. Keith Refson, k.refson-->rl.ac.uk
Description: The CASTEP developer’s group are pleased to announce a five-day training workshop on the ab-initio simulation package CASTEP. The workshop will be held at the University of York from the 17th to 21st of September 2007. The aim is to teach the basics of ab-initio atomistic materials simulation using the CASTEP plane-wave pseudopotential code. The workshop will consist of 50% lectures and 50% practical sessions. Topics to be covered include: Fundamentals of density functional theory; DFT in the solid state, kpoints, Brillouin zones; Plane-wave basis sets; Pseudopotentials, ultrasoft, norm-conserving and self-consistent; Simulations using plane-wave DFT; Ab-initio beyond the LDA and GGA, EXX, hybrid functionals; Practical aspects of ab-initio calculations; Application to structural and surface calculations; Convergence - how to get accurate results. The workshop is suitable for postgraduate students and researchers who wish to learn the methods of plane-wave pseudopotential simulation and CASTEP. We will assume a reasonable knowledge of quantum mechanics applied to the electronic structure of atoms and molecules and a basic knowledge of solid-state physics. The workshop is aimed primarily at academic researchers but is open to all users and potential users of CASTEP. Applications from academic staff and students will be given priority. The full package includes accommodation for 5 nights from Sun 16-Thu 20 September, breakfast, lunch and refreshments. There will be a conference dinner on the evening of Thursday 20, but no other evening meals are included. Some bursaries may be available to assist with fees for applicants who do not have grant or training funds to cover the workshop. This will be awarded on a discretionary basis, but may not cover the full costs, as funds are limited. Details of the applications procedure and bursaries can be found on the CASTEP web site http://www.castep.org. Please note that the 2006 workshop was fully subscribed within 10 days of applications opening.

Monday-Wednesday, September 17-19, 2007 Modelling the structures and reactivity of silica and water: from molecule to macroscale

Organization: CECAM
Location: Lyon, France
Contact: Stefan Bromley, University of Barcelona, s.bromley-->qf.ub.es
Notes: MCC is offering travel support for this event.

Monday-Friday, September 17-21, 2007 Nato Advanced Research Workshop

Location: Dyulber Hotel, Crimea, Ukraine
Presenter(s): ;Presenter(s): J.Akimitsu (Aoyama Univ., Japan), J. Annett (Bristol Univ., England), B. Laughlin(Stanford Univ. , USA), C. W.Chu (Univ. Houston, USA), A. Balatsky(Los Alamos National Lab.,USA), A. Bianconi (Roma Univ., Italy), K. Bennemann (FU Berlin, Germany), A. Fujiwara (JAIST, Japan), Yu.Izyumov (Institute of Metals,Russia), H. Hilgenkamp (Univ. Twente , Netherlands), J. Hong (Seoul Univ.,South Korea), N. Kristoffel (Inst. of Physics., Estonia), H. Kleinert (FU Berlin, Germany), M. Kunchur(Univ.of South Carolina,USA), K. Kumagai(Hokaido Univ., Japan), C. Joachim(CNRS,Toulose,France), D. Logan(Oxford Univ.,UK), V. Litovchenko (ISSP, Kiev, Ukraine), A. Hewson (Imperial College,London ,UK), F. Peeters (Univ.of Antwerpen,Belgium), T. Pruschke (Goettingen Un.,Germany), G. Schon(Univ. Karlsruhe, Germany), D. Pavuna (EPFL, Lousanne,Switzerland), J. Dow (Arizona University,USA), A. Ramsak(J.Stefan Institute,Slovenia), A. Bussman-Holder (MPISSR,Germany), Yu. Oreg (Weizman Inst, Israel), V. Zlatic (Ins.of Physics,Croatia), A. Klyuchnikov (ISAE , Ukraine), N. Chandrasekha(Univ. Singapore,Singapore), H. Nagao(Kanazawa Univ.,Japan), J. Fan (Southern Univ.,USA), Yu Latyshev (IREE,Moscow,Russia), S. Maekawa (Tohoku Univ.,Japan), W. Nawrocki (Poznan,Poland), M. Mierzejewski (Univ.Silesia,Poland), N. Guskos(Athens Univ.,Greece), K. Ahm (Chunguam Univ.,South Korea), I. Sega (J.Stefan Inst.,Slovenia), H. Hori(JAIST,Japan), J. Haruyama(Aoyama Univ.,Japan), S. Prischepa (BSUIR,Belarus)
Register before: Friday, June 1, 2007
Description: The main objective of this Advanced Research Workshop is to bring together leading experts on key current topics in nanodevices , mesoscopic superconductivity and semiconductors in order to review recent developments and to outline new directions for nanotechnology research at the start of the new millenium. Topcis will include new nanodevice applications, quantum computing technology,novel materials, mesoscopic superconductivity , physics of novel superconductivity, sensor and biosensor. The ARW will be held from 17-21 September, 2007 at the Dyulber Hotel in Yalta (Crimea, Ukraine). Yalta is a world-famous health resort and the cetre of a large resort area stretchening for more than 70 km along the southern coast of the Crimea. All partipants of the ARW will be accommodated in the hotel. Breakfast, lunch and dinner will be served for all participants. At the hotel there is an indoor swimming pool with heated sea water. Participants may travel to the ARW from Kiev international airport. A group ticket at reduced cost will be arranged on scheduled flights between Kiev and Simferopol and on buses Simferopol - Yalta. There are direct flights from many Cities to Simferopol. Applications The ARW will be open to approximately 50 participants. There is no conference registration fee. Applicants may apply for financial assistance in case of special need. Registration forms should be sent to Prof. S.Kruchinin at Bogolyubov Institute for Theoretical Physics, Metrologichna str. 14-b, 252143, Kiev, Ukraine, fax: 380 44 526 5998, telephone: 380 44 492 1438, e-mail: etn-->i.com.ua or kruchitp-->bitp.kiev.ua. Please include full name, nationality, address, email, fax and telephone numbers.

Sunday-Thursday, September 16-20, 2007 Symposium for Theoretical Chemistry - Large, non-biological systems

Organization: University of Saarland
Location: Saarbruecken, Germany
Description: A 4-days conference on theoretical methods for the calculation of electronic and structural properties of materials shall be held in Saarbrcken, September 2007. It shall cover various aspects in the boarder region between chemistry and physics, thereby contributing to an increased transfer of knowledge between the two disciplines. The conference shall be held as a low-cost conference, making it, hopefully, also attractive to young scientists.

Saturday-Monday, September 8-17, 2007 Nanomagnetism and Spintronics

Organization: Charles University
Location: Prague
Description: The purpose of the summer school is to provide a qualified overview on the rapidly developing areas of spintronics, magnetoelectronics and nanomagnetism. The lectures will be oriented on last year PhD students and postdoctoral researchers. The scientific scope will include important topics, such as half-metals and diluted magnetic semiconductors, hybrid systems, spin-dependent transport properties, effects of finite temperatures, spin dynamics, magnetism of nanostructures, relativistic effects, and electron correlations.

Friday-Saturday, September 7-8, 2007 Use of the O(N) ab initio code CONQUEST

Organization: CECAM
Location: Lyon, France
Contact: Mike Gillan, David R. Bowler, Tsuyoshi Miyazaki
Notes: MCC is offering travel support for this event.

Wednesday-Saturday, September 5-8, 2007 Conference on Computational Physics

Location: Brussels, Europe
Contact: Michel Mareschal, mmaresch@ulb.ac.be
Abstracts due: Friday, June 1, 2007
Register before: Wednesday, August 15, 2007
Description: The next conference in this world series will be held in Europe, at the Solbosch campus of the Universite Libre de Bruxelles in Brussels. There will be a special emphasis this year on condensed matter physics, electronic structure, Quantum Monte Carlo, materials modelling, soft matter and biomaterials, non-equilibrium matter, micro fluids mesoscopic modelling, etc., but other areas including astrophysics, particle physics, and plasma physics will be covered in parallel sessions. There will also be sessions on methodological advances and large-code development.

Monday-Friday, September 3-7, 2007 Advances in Continuum Quantum Monte Carlo Methods

Organization: CECAM
Location: Lyon, France
Contact: Claudia Filippi, filippi-->lorentz.leidenuniv.nl
Description: The workshop will focus on advances in Quantum Monte Carlo (QMC) approaches, in particular recent methodological developments and efforts to push the frontier of applications to ever more complex systems. The aim of the workshop is to bring QMC experts and new additions to the field, and to involve a large community of electronic structure researchers with an interest in these techniques.

Monday-Thursday, September 3-6, 2007 Linear-scaling ab initio calculations: applications and future directions

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Chris-Kriton Skylaris, cks@soton.ac.uk
Register before: Friday, August 17, 2007
Description: A major aim of the workshop will be to examine the current attempts for linear-scaling or at least reduced scaling in ab initio methods for metallic systems and methods beyond ground-state DFT calculations (e.g. excited states or correlated wavefunction methods). These computational techniques are considered "non-standard" even without any modifications for O(N) cost and clearly our developments in this area are at a nascent stage. We would like to examine the current state-of-the-art in such methods and investigate ways to reformulate them into O(N) frameworks.
Notes: MCC is offering travel support for this event.

Monday-Friday, August 27-31, 2007 Advances in continuum quantum Monte Carlo methods

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Register before: Monday, August 27, 2007
Description: The workshop will focus on advances in continuum quantum Monte Carlo (QMC) approaches, in particular recent methodological developments and applications to more complex systems. The current state of the art and prospects of these approaches will be reviewed and discussed, and outstanding issues such as the calculation of ionic forces, transition metals, the fermion sign problem, etc. will be covered.
Notes: MCC is offering travel support for this event.

Monday-Friday, August 27 - September 7, 2007 Predoctoral Summer School in Statistical Physics

Location: Les Houches, France
Contact: George Batrouni and Michel Le Bellac

Monday-Friday, August 27-31, 2007 Quantum Foundations Summer School

Organization: Canada’s Perimeter Institute
Location: Ontario, Canada
Applications due: Sunday, May 20, 2007
Description: Graduate Students, Postdoctoral Fellows and Junior Faculty in theoretical physics are encouraged to apply to attend the new Quantum Foundations Summer School (QFSS) this summer at Canadas Perimeter Institute. The event will be held from August 27 to 31, 2007. Applications are encouraged from those working in all areas of fundamental physics (including particle physics, string theory, cosmology, quantum gravity, quantum information as well as other disciplines). Places at the school will be awarded to those highest ranked, independent of research specialty. The deadline for applications is May 20th 2007. Successful applicants will be notified shortly afterwards. Application details are available online at www.quantumfoundations.ca. The school offers participants the chance to learn about the exciting research underway in the area of Quantum Foundations and to enjoy an all expenses paid visit to Canadas Perimeter Institute. In Quantum Foundations one seeks to recognize, analyze, and resolve the conceptual tensions within various frameworks and theories in fundamental physics, where quantum theory is or might be applied, with the aim of developing or replacing existing physical theories. Lectures at the school will cover some or all of the following subjects: the measurement problem, Bells theorem and entanglement, the time-symmetric formulation of quantum theory and weak measurements, decoherence and emergence of classicality, foundational issues in quantum gravity, quantum foundations in the light of quantum information, operational formulations of quantum theory, macroscopic quantum interference, and interpretations of quantum theory. The school will comprise of approximately 10 two-hour lectures. In addition, students will be divided into small tutorial groups (of two or three) and assigned a tutor for the duration of the school.

Tuesday-Friday, August 21-24, 2007 10th Asia Pacific Physics Conference

Location: Pohang, Korea
Contact: APPC10 Secretariat, APCTP, appc10-->appc10.org, +82-54-279-3620
Abstracts due: Sunday, April 1, 2007
Description: The 10th Asia Pacific Physics Conference (APPC10) will be held during August 21-24, 2007 in Pohang, Korea. This triennial meeting is organized under the auspices of the Association of Asia Pacific Physical Societies (AAPPS) and the Korean Physical Society. These are dedicated to the presentation and discussion of the latest developments and ideas in physics and related science in Asia-Pacific physics communities. It is our great pleasure to invite you to attend APPC10, celebrating the occasion of 25 years after the first APPC in 1982.

Sunday-Friday, August 19-24, 2007 International Workshop on Synthesis of Functional Oxide Materials

Organization: University of California
Location: Santa Barbara, California, USA
Contact: Jennifer Ybarra, ybarra-->icmr.ucsb.edu
Registration cost: 200.00 USD
Description: The International Center for Materials Research at the University of California Santa Barbara is hosting an International Workshop on Synthesis of Functional Oxide Materials, whose purpose is to bring together Chemists, Physicists, and Materials Scientists involved in the synthesis of functional oxide materials for fundamental studies and applications. Topics include correlated and magnetic materials, optical, polar, battery, high pressure materials, frustration, and superconductivity. The program consists of invited speakers presenting 45 minute lectures. All participants are encouraged to submit poster abstracts. Attendance will be limited in order to maximize interaction among participants.

Sunday-Thursday, August 19-23, 2007 XVI International Materials Research Congress 2007 and the VI National Engineers NACE International Section Mexico Congress

Location: Cancun, Mexico
Contact: Tania Castillo, tania-->amcm.org.mx
Description: The Academia Mexicana de Ciencia de Materiales and the Association of Corrosion Engineers NACE International Section Mexico are pleased to announce the XVI International Materials Research Congress 2007 and the VI National Engineers NACE International Section Mexico Congress to be held in Cancn, Mxico, from 19th to 23th of August. These meetings have been organized annually and will provide an interactive forum for discussing the advances in synthesis, characterization, properties, processing, applications, basic research trends, corrosion prevention, etc., related to the materials sciences area. The efforts of several societies, colleagues, sponsors and exhibitors will make an exciting multidisciplinary forum providing a valuable platform for research scientist to learn first hand of new directions in materials research and technology, as well as share and exchange ideas with some of the best minds in the field. Please contact Tania Castillo, Local Committee IMRC, for more information by phone at (222) 2 29 55 00 ext. 5720, or email tania-->amcm.org.mx

Tuesday-Friday, August 7-10, 2007 Theoretical and Experimental Studies of Quantum Dynamics in Condensed Phase Chemical Systems

Organization: CECAM
Location: Lyon, France
Contact: David Coker, Rodolphe Vuilleumier, Donal Mac Kernan
Notes: MCC is offering travel support for this event.

Monday-Saturday, August 6-18, 2007 4th International Windsor Summer School on Condensed Matter Theory Quantum Transport and Dynamics in Nanostructures

Location: Cumberland Lodge, Windsor, United Kingdom
Presenter(s): ;Presenter(s): Lectures and seminars will be given by B.Altshuler (Columbia U, NY), I.Aleiner (Columbia U, NY), C.Bennett (IBM), A.Briggs (Oxford), M.Buttiker (Geneve), V.Cheianov (Lancaster), M.Dresselhaus (MIT), A.Geim (Manchester), D.Haldane (Princeton), B.Halperin (Harvard), A.Imamoglu (ETH, Zurich), M.Kastner (MIT), C.Marcus (Harvard), C.Marrrows (Leeds), V.Meden (Gottingen), W.Metzner (MPI-Stuttgart), and by the organisers.
Contact: Vladimir Falko, windsor07-->lancaster.ac.uk
Applications due: Tuesday, May 15, 2007
Registration cost: British Pounds
Description: This School will take place 6-18 August, 2007 in the Cumberland Lodge, Windsor Great Park, Windsor - United Kingdom. This School will review the state of the art in theory and experiment on quantum nano-systems and nano-structured materials. Thanks to the I2CAM-NSF support, we shall be able to finance the attendance of young researchers from USA (at least, at the level of the cost of their full-board accommodation). The Windsor School courses will cover the following topics: Electronic properties of the recently discovered new 2D material - graphene; review of recent progress in quantum Hall effect and spin-Hall effect in novel semiconductor structures; The bosonisation technique and functional renormalisation group methods in application to the Kondo effect, Luttinger liquids in quantum wires and carbon nanotubes; Theory of quantum information processing, phase coherence and de-coherence in qubits, coherent exciton dynamics and optical properties of quantum dots in microcavities; Adiabatic and non-adiabatic dynamics of quantum condensates of finite dimensions. Lectures in theoretical methods will be complemented by reviews of advanced experiments and focused research seminars.

Monday-Sunday, August 6-12, 2007 67th Annual Sturgis Rally 2007

Location: Sturgis, South Dakota, USA
Description: The Jackpine Gypsies Motorcycle Club started in 1936, with an official American Motorcycle Association (AMA) charter in 1937. AMA began promoting the racing events; which started the now famous Rally in Sturgis on August 14, 1938. That weekend celebration in 1938 had a lineup of only nine racers and a small audience watching the races. The average age for a motorcycle club is three years, and after 62 years, this club is still running strong. The club owns all the property on which most of our club activities take place. There is approximately 40 acres adjacent to Interstate 90 between Exit 30 and Exit 32, the busiest section of Interstate 90 during the Sturgis Rally. A lighted short track, motocross track, field meet area, hillclimb area, clubhouse, office and state approved concession business are located on these grounds. During the Sturgis Rally, they hold 12 events, including: motocross racing, a 1/2 mile race, hill climbs, road tours and short track racing. There were over 6000 spectators and hundreds of racers during the week of the Rally. As you can see, the Sturgis Rally has grown quite a bit since the first rally in 1937!

Sunday-Saturday, August 5-18, 2007 ICMR Summer School on Polymeric and Self-Assembled Gels

Organization: University of California
Location: Santa Barbara, CA, USA
Presenter(s): ;Presenter(s): Timothy Deming, Vijay T. John, Srinivasa Raghavan, John Selinger, Richard Spontak, and others.
Contact: Dick Weiss, weissr-->georgetown.edu
Register before: Thursday, March 15, 2007
Description: The International Center for Materials Research (ICMR) will host a two-week summer school on Polymeric and Self-Assembled Gels at UC Santa Barbara. The targeted audience is graduate students, post-docs and early career faculty. The school will take place from August 5 18, 2007. The emphasis of the school will be to present a comprehensive picture of the state of the art field of physical gels with an emphasis on the theory of gelation and on practical aspects of experimentation and interpretation of structural and rheological data. Program and application information are available on our website. The application deadline is March 15.

Friday-Saturday, July 27-28, 2007 AAPT Topical Conference: Computational Physics for Upper Level Courses

Organization: Davidson College
Location: Davidson, North Carolin, USA
Description: The purpose of this conference is to identify problems where computation helps students understand key physics concepts. Participants are university and college faculty interested in integrating computation at their home institutions. Some participants already teach or have taught computational physics to undergraduates and some are looking for ways to integrate computational physics into their existing physics curriculum. Participants will contribute and discuss algorithms and curricular material for teaching core subjects such as mechanics, electricity and magnetism, quantum mechanics, and statistical and thermal physics. Participants will prepare and edit their material for posting on an AAPT website such as ComPADRE. Visiting experts will give talks on how computational physics may be used to present key concepts and current research to undergraduates. Participants are invited to prepare a poster describing how they incorporate computational physics into their teaching, what projects they have assigned to students at different levels, and how computation has enhanced their curriculum. Posters will remain up throughout the conference.

Wednesday-Friday, July 25-27, 2007 Modelling the Interaction of Biomolecules with Inorganic Surfaces

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Michael Allen, M.P.Allen@warwick.ac.uk
Register before: Sunday, July 1, 2007
Description: The purpose of the workshop is to bring together experimentalists in this field with those working in simulation of biomolecule-inorganic interfaces, in order to exchange ideas and synthesize new ways forward for making maximising contact between theory and experimental characterization. It expected that progress will be made in devising/planning state-of-the-art advances inf orce-field development, simulation algorithms, and strategies for tackling larger length-scales.
Notes: MCC is offering travel support for this event.

Monday-Saturday, July 23-28, 2007 Summer School Multiscale Modelling in Materials Science and Engineering

Location: Landhotel Kallbach, Germany
Contact: Christian Bollmann, bollmann-->imm.rwth-aachen.de
Register before: Friday, June 15, 2007
Registration cost: 360.00 euro
Description: This Summer School gives a broad introduction to materials modelling and to three or four modelling techniques spanning the range from finite elements down to electronic structure, with the opportunity of hands on experience and expert guidance.

Sunday-Sunday, July 22-29, 2007 Summer School: Ab-initio Many-Body Theory

Location: Palacio Magdalena, San Sebastian, Spain
Contact: A. Rubio, A. Lichtenstein, C. Filippi, A. Georges, and W. M. Temmerman
Description: The School is part of the summer courses of the University of the Basque Country (See http://www.sc.ehu.es/scrwwwsu/index.htm for accomodation details)
Notes: MCC is offering travel support for this event.

Saturday-Saturday, July 21-28, 2007 Quantum Monte Carlo in the Apuan Alps III

Organization: Cambridge University
Location: Sotto, Tuscany, Italy
Presenter(s): ;Presenter(s): Richard Needs, Lubos Mitas, Neil Drummond, Pablo Lopez Rios, Alexander Badinski, Mike Towler
Contact: Mike Towler, mdt26-->cam.ac.uk
Description: Quantum Monte Carlo in the Apuan Alps III will be held from July 21-28, 2007 at the Towler Institute, 22 via del Collegio, Vallico Sotto, Tuscany, Italy. Continuing the tradition of alternative and very informal meetings at this venue, the Cambridge University Theory of Condensed Matter group is organizing a third International Workshop to discuss the development and application of the continuum quantum Monte Carlo method in condensed matter physics and quantum chemistry. The conference will take place in our 16th Century monastery in the high mountain village of Vallico Sotto (in the Tuscan Apuan Alps near the Italian city of Lucca). The normal format for these events involves formal presentations being restricted to the mornings, with the afternoons and evenings left free for relaxed discussion whilst participating in mountain walks and other healthy outdoor activities. A preliminary program and details and photos from previous workshops are accessible on the TTI web page. http://www.tcm.phy.cam.ac.uk/~mdt26/tti/tti.html

Thursday-Friday, July 19-20, 2007 Theoretical Aspects of Design of Periodic Materials

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Michael O’Keeffe, mokeeffe@asu.edu
Description: The proposed workshop is designed to bring together some of the principal researchers concerned with enumeration and classification of SBUs and periodic structures (nets) to address this and related topics. Specifically the discussion will include enumeration of nets and sphere packings, tiling theory, taxonomy of periodic structures, design of SBUs and the role and design of structure-directing agents.
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 16-18, 2007 Simulation, design and crystal engineering of metal-organic frameworks

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Tina Duren, tina.duren@ed.ac.uk
Register before: Saturday, June 30, 2007
Description: The purpose of this workshop is to bring together the fledgling MOF modelling community for the first time and provide a forum for the discussion of the current state of the art of this rapidly evolving, highly interdisciplinary field. It will provide a platform for stock-taking of achievements so far, identifying and debating open questions, and pointing out new directions of research and collaboration. Through invited talks by experts outside the simulation community, we intend to raise awareness for the challenges faced in the "real" world (e.g. synthesis or industrial applications) and identify the challenges that can be addressed by computer simulations. At the same time, we would like to explore what the MOF simulation community can learn from communities in related areas such as crystal engineering, molecular crystals, and zeolite science.
Notes: MCC is offering travel support for this event.

Monday-Friday, July 16-20, 2007 Statistical physics of social dynamics: opinions, semiotic dynamics, language

Location: Erice, Sicily, Italy

Saturday-Thursday, July 14-19, 2007 Statistical physics of social dynamics: opinions, semiotic dynamics, language

Location: Erice, Sicily
Contact: Vittorio Loreto, vittorio.loreto-->roma1.infn.it
Register before: Sunday, April 1, 2007
Description: "Statistical physics of social dynamics: opinions, semiotic dynamics, language" will take place in the beautiful village of Erice in Sicily, July 14-19 2007. In addition to the main track, an atelier directed by Luc Steels on "Modeling Language Evolution with Computational Construction Grammar" will take place on Saturday 13th. The conference is part of a series of events organized in Erice in the framework of the International school of Complexity. The registration form is now available on the conference webpage. Since the number of participants is limited we encourage the interested people to register as soon as possible (well before the official deadline of April 1st). Priority will be given to those persons who already expressed their interest in participating. To those persons we kindly ask to register anyway by filling the registration form. By May 1st we’ll notify the acceptance of the applications and provide further details on the payment of your registration. Should you have any questions, contact us at erice2007-->gmail.com.

Monday-Friday, July 9-13, 2007 International Conference on Statistical Physics

Location: Genoa, Italy
Description: From the organizers: A request has been submitted to The National Science Foundation that we anticipate will result in the availability of partial travel support to enable participation by graduate students, postdoctoral fellows, and junior scientists affiliated with U.S. universities in the forthcoming International Conference on Statistical Physics, STATPHYS-23 (9-13 July 07 in Genoa, Italy). Eligibility includes all students enrolled in USA institutions, regardless of nationality or visa status. Individuals from underrepresented groups are especially encouraged to apply. Interested graduate students and postdoctoral fellows should request their advisors to send by email a nomination letter to Prof. David P. Landau (dlandau-->hal.physast.uga.edu ). This letter should include the topic of the expected contribution. It should also have attached a CV and list of publications of the student from the home institution should be included. Unfunded junior faculty members should write directly to David Landau. The selection process will begin on 16 April, 2007 in order to provide sufficient time to plan. Applicants who cannot attend without travel support will be allowed to register late in the case that they do receive sufficient NSF support, but they should notify David Landau by March 31, 2007.

Monday-Sunday, July 9-29, 2007 International Workshop on "Many-body theory of inhomogeneous superfluids"

Location: Pisa, Italy
Contact: Giuseppe G. N. Angilella, Giuseppe.Angilella@ct.infn.it, + 39 095 378 5305
Description: With exciting progress occurring now, involving crucial interaction between mathematicians and theoretical physicists, in the many-body theory of (to date, mainly dilute) inhomogeneous superfluids, it is proposed to bring together some 30 scientists in July 2007, for a period of 3 weeks, at the Centro De Giorgi of Scuola Normale Superiore di Pisa. The topics for the workshop are superfluid turbulence and vortex entanglement, and inhomogenous superconductivity.

Thursday-Saturday, July 5-7, 2007 Fluid phase behaviour and critical phenomena from liquid state theories and simulations

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: David Pini, davide.pini@mi.infm.it
Description: The aim of this workshop is to summarize the present state-of-the-art of liquid-state approaches aimed at a realsitic description of criticality, and to discuss recent and possible future developments, especially in connection with the applications to soft matter. These approaches include renormalization-group based as well as thermodynamically self-consistent theories, and simulation methods.
Notes: MCC is offering travel support for this event.

Monday-Friday, July 2-27, 2007 Boulder School for Condensed Matter and Materials Physics

Location: Boulder, Colorado, U.S.A.
Presenter(s): ;Presenter(s): Lecturers for 2007 include: Meredith Betterton, Dmitrii Chklovskii, Michael Desai, Winfried Denk, Mark Goldman, Jan Kondev, Leonid Kruglyak, Philip Nelson, Sebastian Seung, Boris Shraiman, Peter Swain, John Tyson, Ned Wingreen, and additional lecturers to be confirmed.
Contact: Organizers, boulder.organizers@yale.edu
Register before: Friday, February 23, 2007
Description: "Biophysics" July 2 - July 27, 2007 Scientific Coordinators: William Bialek, Anirvan Sengupta, Sima Setayeshgar, Chris Wiggins Site Coordinator: Leo Radzihovsky The 2007 Boulder Summer School aims to give graduate students and postdocs exposure to some of the most exciting current areas of experimental and theoretical study in biophysics. Topics Include: Signals, noise and information flow in biological networks; Dynamics on multiple times scales: Adaptation, learning and evolution; Emergence of macroscopic functions from molecular mechanisms; Mechanics, from molecules to cells. The electronic application form (deadline: February 23, 2007) is available on the School’s main web page: http://research.yale.edu/boulder Most local expenses are covered through the School’s NSF support. See webpage for details on speakers, cost to attend, possible fiscal support, and other meeting aspects.

Monday-Wednesday, July 2-4, 2007 New directions in liquid state theory

Organization: CECAM
Location: Lyon, France
Contact: Andrew Masters, Michael Allen
Notes: MCC is offering travel support for this event.

Monday-Wednesday, July 2-4, 2007 New directions in liquid state theory

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Contact: Andrew Masters
Register before: Friday, June 15, 2007
Description: We envisage 30 50 participants for a period of three days. We plan a poster session and 10 sessions for oral presentations. The first session will involve invited talks to set the scene and the final session will involve a long period of discussion. Otherwise the sessions will be governed by theme (e.g. virials, integral equation theory, density functional theory, many body potentials, theories for real systems, etc). The workshop has no special requirements. The lecture room will be needed for the oral sessions while the posters may be displayed in the CECAM main hall. If possible, a computer room will be helpful to provide the participants with access to the internet and email. Budget The standard CECAM budget will be fine for this workshop.

Sunday-Friday, July 1-6, 2007 International Conference on Materials for Advanced Technologies (ICMAT2007)

Location: Singapore
Contact: Yuan Ping Feng, phyfyp-->nus.edu.sg, Tel: (65) 65162960
Abstracts due: Wednesday, January 31, 2007
Description: The ICMAT2007 Conference will take place in Singapore, 1-7 July 2007. There will be 18 Symposia covering contemporary topics of importance for science, engineering and technology of materials. ICMAT2007 also incorporates the GEM4 Conference on Cancer. I would like to draw your attention to Symposium O: Frontiers in Computational Materials Science. The Symposium aims to provide a forum for scientists and engineers who are involved in computational materials science to present and discuss latest development in computational methods related to materials science and their applications. We will also organizing a Postconference WIEN2k Workshop, 6-9 July 2007, to be conducted by Peter Blaha and his team.

Friday-Sunday, June 29 - July 1, 2007 Multiscale approach to alloys: advances and challenges

Location: Stockholm, Sweden
Contact: M. Asta, m-asta-->northwestern.edu
Description: The goal of the conference is to bring together leading experts working in the field of multiscale modeling for alloys, and to exchange the expertise on the recent advantages in the field, as well as to discuss challenges on the way to the development of a consistent set of tools for ab initio simulations of disordered materials at all levels, from the electronic structure towards the microstructure.

Wednesday-Friday, June 27-29, 2007 Maximally Localized Wannier Functions: Concepts, Applications, and Beyond

Organization: CECAM
Location: Lyon, France
Contact: Nicola Marzari, marzari-->mit.edu
Register before: Wednesday, June 27, 2007
Description: We are planning a three-day workshop with 28 participants, to be held at CECAM in Lyon. The workshop will cover all the main research areas in which maximally localized Wannier functions are currently having impact. We are planning to have 9 to 10 talks per day. The workshop will start with an overview talk that reviews the field at large, both the history and the state of the art, open problems, etc. Each participant will be allotted 30 minutes and an indicative time schedule will be set up, in which the scheduled discussion time is approximately equivalent as the presentation time. Rather than enforcing a rigid schedule, the chairman of each session will be allowed to freely manage the discussion time available to his session following the interest of the audience.

Tuesday-Friday, June 19-22, 2007 67th Annual Physical Electronics Conference: Topical Conference on the Physics and Chemistry of Surfaces adn Interfaces

Presenter(s): ;Presenter(s): Professor Charles Campbell, University of Washington and Dr. Frances Ross, IBM.
Contact: Ramona Simpson, pec07-->mrl.uiuc.edu, 217-333-1381
Abstracts due: Friday, April 20, 2007
Register before: Friday, June 1, 2007
Description: The 67th Annual Physical Electronics Conference, including the prestigious Nottingham Prize Competition for best presentation based on doctoral research, will be held at the Frederick Seitz Materials Research Laboratory. This topical conference will provide a forum for the dissemination and discussion of new research results in the physics and chemistry of surfaces and interfaces. The conference will continue to emphasize fundamental science in materials systems, including metals, semiconductors, insulators and biomaterials. Experimental and theoretical talks on research performed at exposed (gas-solid), buried (liquid-solid and solid-solid) and hybrid (e.g., semiconductor-biomaterial) interfaces are solicited. Representative topics include electronic, chemical, magnetic, and structural properties of interfaces; kinetics and dynamics of physical and chemical transformations at surfaces; formation, modeling, and properties of nanoscale-mesoscale surface architectures; biological interactions with surfaces; mechanisms of surface and interface growth and evolution; and energy and electron transfer processes across materials interfaces. Properties of structurally and chemically tailored surfaces are of interest, as are new methods of measuring these properties and the demonstration of new applications. The conference will include invited, Nottingham, and contributed fifteen-minute oral presentations in a single session format with lively discussions. The three-day format of the conference limits the total number of oral contributions to about sixty. Additional contributions are included in poster sessions. Apart from the Nottingham contestants, a one-page abstract is the sole written contribution required of contributors. A vendor exhibit will be held during the conference.

Monday-Friday, June 18-22, 2007 Efficient density-functional calculations with atomic orbitals: a hands-on tutorial on the SIESTA code

Organization: CECAM
Location: Lyon, France
Contact: Alberto Garcia, Javier Junquera
Notes: MCC is offering travel support for this event.

Sunday-Tuesday, June 17-19, 2007 Multiscale approach to alloys: advances and challenges

Location: Stockholm/Stigtuna, Sweden
Contact: Igor A. Abrikosov, igor.abrikosov-->ifm.liu.se
Register before: Monday, April 16, 2007
Description: Multiscale approach to alloys: advances and challenges will be held June 17-19, 2007, in Stockholm/Sigtuna, Sweden. http://www.sigtunahojden.se/ The goal of the conference is to bring together leading experts working in the field of multiscale modeling for alloys, and to exchange the expertise on the recent advantages in the field, as well as to discuss challenges on the way to the development of a consistent set of tools for /ab initio/ simulations of disordered materials at all levels, from the electronic structure towards the microstructure. We also invite leading experimentalists in the fields of spectroscopy, nanoscience, structural chemistry, and geophysics, to establish closer links between theory and experiment. For more information, and to submit your application for the participation in the conference please, visit: http://cms.ifm.liu.se/theomod/theophys/intl._alloy_conference/ or contact Prof. Igor A. Abrikosov, Department of Physics, Chemistry, and Biology (IFM), Linkopings University, SE-581 83 Linkping, Sweden, e-mail: igor.abrikosov-->ifm.liu.se Deadline for abstract submission is April 16, 2007

Wednesday-Friday, June 13-15, 2007 Glasses meet Glasses: reconciling views

Organization: CECAM
Location: Lyon, France
Contact: Matthieu Micoulaut, Normand Mousseau, Alfredo Pasquarello
Notes: MCC is offering travel support for this event.

Wednesday-Friday, June 13-15, 2007 Glasses meet Glasses: reconciling views

Location: Lyon, France
Contact: Matthieu Micoulaut
Register before: Friday, June 1, 2007
Description: The understanding of glasses and the nature of the glass transition remains one of the greatest challenges in condensed matter science. It is not surprising, therefore, that many different communities have studied the problem, coming from engineering, condensed matter physics and statistical mechanics. While there have been many conferences addressing one approach or the other, there have been very few attempts at bringing together the leading practitioners from all these areas in order to establish a real dialogue. Glasses meet glasses intends to do just that. We propose to invite theoreticians from all these fields in an environment where discussion can take place, providing a much needed exchange of ideas at a time when many fields have progressed on their own. Selected experimentalists are also invited to contribute to the discussion.

Wednesday-Friday, June 13-15, 2007 Mainz Materials Simulation Days 2007

Organization: Johannes Gutenberg University
Location: Mainz
Contact: Doris Kirsch, mmsd2007-->mpip-mainz.mpg.de
Register before: Wednesday, May 30, 2007
Registration cost: 130.00 Euro
Description: The Mainz Materials Simulation Days are a series of discussion meetings focusing on method developments in computational materials science. The workshops are jointly organized by the groups of Prof. Kurt Kremer at the Max Planck Institute for Polymer Research and Prof. Kurt Binder at the Physics Institute of the Johannes Gutenberg University in Mainz. They will typically be of a 2 days duration starting at noon on Wednesday and finishing at noon on Friday.

Wednesday-Friday, June 13-15, 2007 Recent Developments in Electronic Structure*

Location: Raleigh, North Carolina
Contact: es07@chips.ncsu.edu
Description: The program will consist of invited oral presentations and contributed posters describing new methods for computing previously inaccessible properties, breakthroughs in computational efficiency and accuracy, and novel applications of these approaches to the study of molecules, liquids, and solids.

Tuesday-Thursday, June 12-14, 2007 Theory meets Industry

Organization: Erwin-Schrodinger Institute
Location: Wein, Austria
Register before: Sunday, April 15, 2007
Description: Theroy Meets Industry--The Impact of Density-Functional Calculations on Materials Science will be held June 12 to 14, 2007 at the Erwin-Schrodinger Institute for Mathematical Physics in Wein, Austria. In 1998 a workshop called Theory Meets Industry was held at the Technical University in Wien to celebrate the start of the Research Programme Electronic Structure Calculations for Elucidating the Complex Atomistic Behavior of Solids and Surfaces sponsored by the European Research Foundation (ESF) - better known as the psik-network. The aim of the workshop was to confront the potential of the ab-initio simulation codes developed in academia with the necessities arising from industrial research. The Research Programme has been renewed under the title Towards Atomistic Materials Design and is now approaching the end of the second funding period. Everybody will agree that much progress has been realized since the 1998 workshop and that density- functional theory develops an increasingly important impact on materials research, not only in academia, but also in industry. Therefore it seems to be timely to organize a second workshop Theory Meets Industry. As for the previous meeting the aim will be to highlight the most recent progress in the development of ab-initio density-functional and post-DFT methods and in front-line applications in academia and to present recent achievements in industrial research. In addition speakers from industry are invited to articulate the needs in applied research which have not yet been met by the progress in theory. Attendance to the meeting will be restricted to about 60 persons, with the aim of an approximately equal representation of academia and industry. If you intend to participate at the workshop, please complete the registration form send it by email or fax to the workshop secretary, Mrs. Edith Wolfsgruber (email: edith.wolfsgruber-->univie.ac.at, fax: +43-1-4277-9514). You will be contacted as to the acceptance of your registration by April 25.

Wednesday-Friday, June 6 - August 17, 2007 COMPUTATIONAL CHEMISTRY AND MATERIAL SCIENCE SUMMER INSTITUTE LAWRENCE LIVERMORE NATIONAL LABORATORY

Location: Livermore, CA
Applications due: Thursday, February 1, 2007
Description: The goal of the Summer Institute is to provide an opportunity for graduate students to explore and learn some of the cutting-edge methods in computational materials sciences, computational chemistry, and other related areas of computational science during their first few years of graduate study. Each student will spend ten weeks at LLNL as the guest of an LLNL host scientist working on a computational project in the host’s area of expertise. In addition, computational science leaders from universities and laboratories around the country will present a series of mini-courses for the students. These courses will cover state-of-the-art and emerging computational methods in materials science and chemistry, such as computational nanoscience, computational chemistry, computational simulation of materials based on coarse graining and multi-scale modeling, to name a few.

Sunday-Wednesday, June 3-6, 2007 Quantum Nanoscience with Spins

Location: Asilomar, California, USA
Contact: Sally Floyd, sallyfl-->us.ibm.com
Description: For many decades now, the technologies of communication and information processing have been based on ever-smaller devices built from conductors or doped semiconductors, in which electrons are moved around. However, a new kind of technology is beginning to emerge, based instead on the dynamics of quantum spins, sometimes wiht no moving electrons at all. This use of spins offers several huge advantages over existing technologies--far less heat is generated, and more subtle operations can be carried out using spin than electronic charge. It also offers a much more direct use of quantum mechanics and the possibility of quantum devices based on spin. Some of the ideas currently being explored include ’spintronics’ devices based on the transport of spin (without necessarily moving charges at all), and the construction of elementary solid-state logic devices made from very small numbers of spins (at the molecular or even atomic scale). The quantum properties of such devices are important, and moreover their behaviour at these length scales is often very different from that in the bullk - one of the big surprises has been the possibilities opened up by new kinds of megnetic quantum materials at the nanoscopic scale. The main themes of the meeting will include: spin transport and spin momentum transfer; new materials - novel oxides, graphene, etc.; quantum spin devices, qubits, etc.; the technological perspective. For all details of registration, accomodation, and transportation please contact Sally Floyd at sallyfl-->us.ibm.com.

Monday-Wednesday, May 28-30, 2007 Ab-initio approaches to electron-phonon coupling and superconductivity

Location: San Sebastian, Spain
Contact: Dr. Ole K. Andersen, oka-->fkf.mpg.de
Description: The aim of this workshop is to give an overview of recent ab-initio calculations of electron-phonon coupling in superconducting and nonsuperconducting materials, in the bulk as well as at the surface. From ethodological point of view the workshop will cover linear response calculations of the electron-phonon coupling resolved both in energy and momentum, the newly developed uperconducting density functional theory, and numerical methods of the Eliashberg theory. Important topics like anharmonicity, onadiabacity, and unconventional order parameters will also be discussed, as well as spectroscopic effects of the electron-phonon coupling, e.g., in photoemission.

Monday-Wednesday, May 28-30, 2007 Ab-initio approaches to electron-phonon coupling and superconductivity

Location: San Sebastian-Donostia, Basque Country, Spain
Contact: Ole Andersen, Evgueni Chulkov, Igor Mazin, and Warren Pickett
Applications due: Thursday, March 15, 2007
Description: The aim of this workshop is to give an overview of recent ab- initio calculations of electron-phonon coupling in superconducting and nonsuperconducting materials, in bulk as well as at the surface. The workshop will cover, for example, linear response calculations of the e-ph coupling resolved both in energy and momentum, the newly developed superconducting density functional theory, and numerical methods of the Eliashberg theory. Important topics like anharmonicity, nonadiabacity, and unconventional order parameters will also be discussed, as well as spectroscopic effects of the e-ph coupling, e.g., in photoemission. Although the workshop is mainly theoretical, we anticipate having some experimentalists as well, and hope that this will lead to productive cross-fertilization between the theory and the experiment.
Notes: MCC is offering travel support for this event.

Wednesday-Friday, May 23-25, 2007 Ab initio simulations in photochemistry: bringing together nonadiabatic dynamics and electronic structure theory

Organization: Centre European de Calcul Atomique et Moleculaire
Location: Lyon, France
Register before: Thursday, March 1, 2007
Description: This workshop will address the challenge of simulating realistic photoactivated processes of interest in biology and materials science [1,2,3]. These phenomena usually involve non-adiabatic transitions among the electronic states of the system induced by the coupled motion of electronic and nuclear degrees of freedom. The main scientific objective of the workshop is to accelerate progress towards reliable theoretical studies of complex photoactivated processes of relevance, for instance, to biology or materials science.

Monday-Friday, May 21-25, 2007 International Conference on Nanospintronics Design and Realization

Location: Dresden, Germany
Description: Spintronics is currently among of the most active research themes in condensed matter physics. This field is progressing very fast and continues branching into increasingly wider areas of condensed matter. The main objective of the Conference on Nanospintronics Design and Realization is to bring together leading scientists in Europe, Japan and the US, being active in different fields of spintronics, also, in state-of-the-art first principles calculations.

Friday-Sunday, May 18 - July 1, 2007 North Carolina State University Prague Institute, Study Abroad Program

Location: Prague, Czech Republic
Contact: Dana Bartelt, dana_bartelt@ncsu.edu
Description: The NCSU Study Abroad program offers Physics students a remarkable opportunity to develop analytical and computational skills in physics in an exciting, project-oriented studio class set in Prague’s Old Town

Sunday-Friday, May 13-18, 2007 SCES07: 2007 INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS

Location: Houston, Texas
Contact: Qimiao Si (Rice University), Paul C. W. Chu (TcSUH-University of Houston)
Abstracts due: Monday, January 15, 2007

Saturday-Wednesday, May 12-16, 2007 Modern Concepts for Creating and Analyzing Surfaces and Nanoscale Materials

Location: Girona, Spain
Description: This Summer School is part of a MARIE CURIE ACTION (Ψk Training), which concerns the rapidly developing field of computer simulations and focuses on the understanding of real materials and the design of new nanoscale materials with improved properties and functionalities. ... Ab initio calculations are particularly important in nanoscience, since this concerns a completely new world of materials with largely unknown properties and since on the nanoscale the physical properties are dominated by quantum effects, making ab initio calculations indispensable. The Summer School will address students and young postdocs from the Ψk community for which we need additional financial support.

Sunday-Tuesday, May 6-8, 2007 97th Statistical Mechanics Conference

Organization: Rutgers University
Location: 114 Hill Center
Presenter(s): ;Presenter(s): M. Aizenman, G. Ben-Arous, W. Bialek, A. Bovier, L. Bunimovich, M. Disertori, M. Douglas, P. Fendley, R. Fernandez, J. Garrahan, G. Giacomin, S. Goldstein, F. Guerra, E. Heller, A. Jaffe, K. Hepp, A. Klein, H. Koch, U. Landman, G. Lawler, E. Lieb, A. Libchaber, A. Ludwig, G. Mussardo, L. Pastur, C.-A. Pillet, H. Pinson, W. A. Salem, B. Schlein, T. Seppalainen, Y. Sinai, B. Simon, U. Tauber, B. Vollmayr-Lee, P. Wiegmann, H.T. Yau, S. Zamolodchikov, M. Zurnbauer.
Contact: Joel L. Lebowitz, lebowitz@sakharov.rutgers.edu, 732-445-3117/3923
Registration cost: 110.00 dollar
Description: The 97th Statistical Mechanics Conference will be held a Rutgers University, Busch Campus, Hill Center, Room 114. This event will be held May 6-8, 2007. During this conference the achievements and birthdays of distinguished colleagues John Cardy, Juerg Frohlich and Tom Spencer will be celebrated. Additional information concerning this meeting can be found at: http://www.math.rutgers.edu/events/smm/index.html Please respond at: http://www.math.rutgers.edu/events/smm/res-formI.html

Monday-Thursday, April 16-19, 2007 Simulations of hard bodies

Organization: CECAM
Location: Lyon, France
Contact: Antonio Scala, Cristiano De Michele
Notes: MCC is offering travel support for this event.

Wednesday-Thursday, April 4-5, 2007 Metamaterials and Nonlinear Materials Conference

Organization: University of Alabama
Location: Bob Jones Auditorium Sparkman Center, Redstone Arsenal, AL, USA
Presenter(s): ;Presenter(s): Leading researchers, including Dr. Vlad Shalaev and Dr. David Smith will be speaking.
Contact: Angie Cornelius, Angie.Cornelius@us.army.mil
Description: We are pleased to announce the upcoming Metamaterials and Nonlinear Materials Conference, April 4 & 5, 2007. The conference will be held at the Bob Jones Auditorium at the Sparkman Center, Redstone Arsenal, AL. For more information, please visit the conference website at: http://smapcenter.uah.edu/mnm07/ (If you are unable to submit registration form via email, please print and fax to (256)876-6421.) ----------------------------------- Other Upcoming Programs: Reconfigurable Systems, Microsystems, and Nanotechnology Conference - May 8-10, 2007 Workshop on Algorithms for Autonomous & Aided Target Recognition - June 6 & 7, 2007

Saturday-Sunday, March 31 - April 1, 2007 First Annual DFT Meeting at Irvine

Location: Laguna Beach, CA, USA
Presenter(s): ;Presenter(s): Kieron Burke, Fillip Furche
Contact: Max Koentopp, koentopp-->rutgers.edu, +1 (732) 445-4849
Register before: Sunday, February 25, 2007
Description: UC Irvine will be holding its first DFT meeting in chemistry and physics. The meeting will take place on two weekend days. The first day is an intensive mini-school, while the second is a workshop, at which experts in the field present some of their latest research. The meeting is designed to enable intensive and fruitful interactions between students and experts. Primary focus of the school on Saturday is to give a thorough theoretical background on Density Functional theory as well as to provide practical examples on the proper use of a modern and fast Density Functional Code (TURBOMOLE). The Sunday workshop will focus on new developments in and applications of Density Functional Theory in Chemistry and Physics. The areas of application of Density Functional Theory are very broad and the workshop will provide a sampling of the various fields of applications and current research questions. The workshop talks will be semi-pedagogical. For further information, and to register, please visit: http://chem.ps.uci.edu/~kieron/idft07/ There is no fee, but participants must cover their own expenses.The registration deadline is Feb 25, 2007. Invited speakers: John Perdew, Tulane University. Shaul Mukamel, UC Irvine. Bernie Kirtman, UC Santa Barbara. Filipp Furche, University of Karlsruhe. Max di Ventra, UC San Diego. Nicola Spaldin, UC Santa Barbara. Meta van Faassen, Rutgers University. Bob Cave, Harvey Mudd College. Stefano Sanvito, Trinity College, Dublin. () confirmed. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Dr. Max B. Koentopp koentopp@rutgers.edu Rutgers University Department of Chemistry phone: +1 (732) 445-4849 610 Taylor Rd fax : +1 (732) 445-5312 Piscataway, NJ 08854 USA At UC Irvine: (949) 824-4508 home: 79 Douglas Ave Somerset, NJ 08873 phone: +1 (732) 658-4655 cell: +1 (732) 485-0136 from Germany: call 0721/5604110

Sunday-Saturday, March 25-31, 2007 Bristol University Graduate School

Organization: Bristol University
Location: Bristol, UK
Presenter(s): ;Presenter(s): E.K.U. Gross, R.W. Godby, M. Katsnelson, F. Sottile
Contact: Walter Temmerman
Register before: Thursday, March 1, 2007
Registration cost: 250.00 euro
Description: The combined theory-hands-on Graduate School on electronic structure methods will take place at Burwalls and the Physics Department in Bristol from Sunday March 25 until Saturday March 31, 2007. There will be 20 lectures over 6 days, 10 lectures on theory and 10 lectures on electronic structure methods. The rest is all hands-on experience with relevant codes. Location : Bristol University, UK A limited number of scholarships will be available. Accommodation costs, breakfast and evening meal and travel reimbursements will be paid to qualifying participants. To apply please register on the web-site: http://www.mc-psi-k-training.cecam.org/

Monday-Tuesday, March 12-27, 2007 37th IFF SPRING SCHOOL 2007

Location: Juelich, Germany
Description: This series of two-week Spring Schools at our institute is very successful and attracts every year more then 200 students. The topic of the 2007 School is PROBING THE NANOWORLD with about 50 hours of lectures, discussions and laboratory courses by highly qualified speakers.

Tuesday-Wednesday, February 20-21, 2007 Workshop: Interaction Energies and the Structure of Surfaces and Nano-structures

Organization: RMIT University
Location: Melbourne, Australia
Contact: Ian Snook

Monday-Friday, February 19-23, 2007 Recent Developments in Computer Simulation Studiesin Condensed Matter Physics

Organization: University of Georgia
Location: Georgia
Presenter(s): ;Presenter(s): Bernd Berg, Bertrand Berche, Elbio Dagotto, Robert Germain, Sharon Glotzer, Wolfhard Janke, and others
Contact: cs-->uga.edu, 706-542-2909
Description: This annual workshop series highlights recent advances in applications, algorithms, and parallel implementations of computer simulation methods for the study of condensed matter systems. Topics of interest include Monte Carlo, molecular dynamics, and other numerical studies of such physical problems as materials growth, granular flow, structural and magnetic phase transitions, polymers, surfaces and interfaces, defect diffusion, genomics, and strongly correlated electron systems and models of high Tc superconductors. Workshop participants will have access to The University of Georgia heterogeneous, high performance computer complex. Graduate student participation is encouraged, and some travel support for graduate students/postdocs is available. In addition to invited talks, a limited amount of time will be reserved for short, contributed talks. Sponsored by the Center for Simulational Physics, The University of Georgia

Sunday-Wednesday, February 11-14, 2007 Fundamental Physics of Ferroelectrics 2007

Location: Williamsburg, Virginia

Monday-Wednesday, February 5-7, 2007 Multiscale Approaches to Nanomechanics

Location: Lyon, France
Contact: Ruben Perez, +34-91-4974906
Description: The meeting is focused on the application of computer simulations to the study of the microscopic aspects that determine the mechanical behaviour of materials. We expect to gather leading experimental and theoretical researchers from Physics, Chemistry, Materials and Life Sciences in order to define the core issues and current challenges in Nanomechanics: merging quantum mechanical methods with the complementary but largely separate methodologies dealing with the different larger scales; bridging the gap between simulations and experiments; and providing a necessary unified perspective that spans beyond the boundaries of traditional scientific disciplines.
Notes: MCC is offering travel support for this event.

Sunday-Saturday, January 14-20, 2007 Aspen Center for Physics, 2007 Winter Conference in Condensed Matter

Description: "Spins in nanostructures: Dynamics, Spectroscopy, Manipulation and Control"

Thursday-Saturday, January 11-13, 2007 XIII International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

Location: Trieste, Italy
Contact: Nicola Mazari, mazari --> mit.edu
Applications due: Wednesday, November 15, 2006
Register before: Wednesday, November 15, 2006
Notes: MCC is offering travel support for this event.

Monday-Friday, January 8-19, 2007 NECSI Winter School

Organization: New England Complex Systems Institute MIT
Location: Cambridge, MA
Description: This course offers an introduction to the essential concepts of complex systems and related mathematical methods and simulation strategies with application to physical, biological and social systems. The course will particularly focus on the use of multiscale representations as a unifying approach to complex systems concepts, methods and applications. Concepts to be discussed include: emergence, complexity, networks, self-organization, pattern formation, evolution, adaptation, fractals, chaos, cooperation, competition, attractors, interdependence, scaling, dynamic response, information, and function.

Monday-Wednesday, December 18-20, 2006 Inelastic effects in transport at the atomic scale: from realistic current simulations to chemical detection at the atomic scale via IET spectroscopy

Location: Lyon, France
Contact: Marie-Laure Bocquet, http://www.cecam.fr/popup.php?content=email&aid=501
Notes: MCC is offering travel support for this event.

Sunday-Tuesday, December 17-19, 2006 96TH STATISTICAL MECHANICS CONFERENCE

Organization: Rutgers University
Location: Room 114 Hill Center
Contact: Professor Joel L. Lebowitz, 732-445-3117/3923

Wednesday, December 13, 2006 Computational Magnetism

Location: Institute of Physics, London
Contact: Hans Fangohr and Walter Temmerman
Description: A one-day meeting on computational magnetism ranging from the atomic scale up to length-scales of micrometres. The relevant computational techniques focus around micromagnetism, Heisenberg models with dipolar interaction and ab-initio methods.

Monday-Monday, December 11-18, 2006 Uppsala Graduate School on Modern Electronic Structure Theory

Organization: Uppsala University
Location: Angstrom Laboratory, Sweden
Applications due: Thursday, November 30, 2006
Registration cost: 250.00 euros
Description: The school will be held to give a basic theoretical background in electronic structure theory, and to provide a hands-on experience for the calculations of materials properties with general applications in solid state physics and chemistry. These properties involve phase stability, structural properties, optical properties, magnetism, and correlated electron behaviour.

Thursday-Saturday, December 7-9, 2006 ALPS/DMFT workshop

Contact: Andreas Honecker and Thomas Pruschke, ahoneck --> uni-goettingen.de

Thursday-Friday, November 2-3, 2006 External Advisory Board Meeting

Location: 1005 MRL
Contact: Richard Martin, Local Organizer
Description: Members of the MCC’s Advisory Board discuss research and partnership programs.

Wednesday-Saturday, October 25-28, 2006 Simulations of novel carbon materials

Location: Lyon, France
Contact: Dr. Johan M. Carlsson
Notes: MCC is offering travel support for this event.

Monday-Wednesday, October 23-25, 2006 The Second Annual CNF Fall Workshop, "Building Nanostructures Bit by Bit"

Organization: Cornell Nanoscale Facility
Location: Ithaca, New York, USA
Contact: Dr. Derek Stewart, stewart@cnf.cornell.edu, 607-255-2856
Register before: Friday, September 29, 2006
Description: Modeling and simulation techniques play a crucial role in guiding nanoscale research and interpreting results. However in order to successfully integrate these computational approaches with experimental tools, researchers must learn about the principles and applications associated with each code. This workshop will provide morning lectures on the theory behind approaches followed by hands-on sessions for each code. In some cases, participants will learn directly from the code’s creator. Graduate students and young researchers with theory or experimental backgrounds are strongly encouraged to attend. More seasoned members of the field are also encouraged to come and share their knowledge. This workshop is sponsored by the National Nanostructure Infrastructure Network (NNIN) through funding from the National Science Foundation.

Wednesday-Friday, October 18-20, 2006 Multiscale modeling of soft and biological matter

Location: Lyon, France
Notes: MCC is offering travel support for this event.

Sunday-Tuesday, October 8-10, 2006 53rd Midwest Solid State Conference

Location: Kansas City, Missouri
Contact: theory1 ---> fz-juelich.de

Wednesday-Friday, October 4-6, 2006 Polymer Surfaces And Interfaces

Location: Lyon, France
Contact: Sylvie Neyertz, http://www.cecam.fr/popup.php?content=email&aid=1438
Notes: MCC is offering travel support for this event.

Monday-Wednesday, October 2-4, 2006 Conference on Computational Magnetism and Spintronics

Location: Juelich, Germany
Contact: theory1 ---> fz-juelich.de

Tuesday-Friday, September 26-29, 2006 Theory of single molecule force experiments and simulations

Location: Lyon, France
Contact: Emanuele Paci, http://www.cecam.fr/popup.php?content=email&aid=180
Notes: MCC is offering travel support for this event.

Monday-Tuesday, September 25-26, 2006 Psi-k/COST workshop on multiscale modeling of extended defects and phase transformations at material interfaces

Location: Wroclaw, Poland
Notes: MCC is offering travel support for this event.

Tuesday-Friday, September 19-22, 2006 11th Nanoquanta Workshop on Electronic Excitations: a decade of applications of the Bethe-Salpeter Equation

Location: Lyon, France
Notes: MCC is offering travel support for this event.

Tuesday-Friday, September 19-22, 2006 Protein folding and misfolding: Bringing theory close to experiment and vice versa

Location: Lyon, France
Contact: Emanuele Paci, http://www.cecam.fr/popup.php?content=email&aid=180
Notes: MCC is offering travel support for this event.

Thursday-Saturday, September 14-16, 2006 Heat transfer simulation at the atomic scale : new challenges for the futur

Location: Lyon, France
Contact: Patrice Chantrenne, http://www.cecam.fr/popup.php?content=email&aid=1487
Notes: MCC is offering travel support for this event.

Monday-Friday, September 11-15, 2006 Catalysis from First Principles

Location: Lyon, France
Contact: Angelos Michaelides
Notes: MCC is offering travel support for this event.

Tuesday-Thursday, August 29-31, 2006 Computational aspects of building blocks, nucleation, and synthesis of porous materials

Location: Lyon, France
Contact: German Sastre, http://www.cecam.fr/popup.php?content=email&aid=1211
Notes: MCC is offering travel support for this event.

Sunday-Monday, August 27 - September 11, 2006 Psi-k/NANOQUANTA SCHOOL + WORKSHOP on Time-Dependent Density-Functional Theory: Prospects and Applications

Organization: Benasque Center for Science
Location: Benasque, Spain
Description: The school will be followed by an international workshop, where the new developments of TDDFT and Many-Body Techniques for the calculation of excitations will be discussed. Students attending the school will be encouraged to attend the workshop, so they can get in contact with state of the art research in the field. The purpose of the workshop is to bring together leading experts in all these fields with different backgrounds, like density functional, many-body, nuclear physics and quantum chemists. This will allow the exchange of ideas between the different fields and the creation of links between the traditionally separated communities. We believe that the intense and informal discussion which is possible in this kind of workshops can contribute to the formation of a strong community in the field of TDDFT.
Notes: MCC is offering travel support for this event.

Sunday-Friday, August 20-25, 2006 Symposium on Materials Issues in Hydrogen Production and Storage at UCSB

Organization: International Center for Materials Research at the University of California, Santa Barbara
Location: Santa Barbara, California
Description: The International Symposium on Materials Issues in Hydrogen Production and Storage, organized by Juergen Eckert (LANL and UCSB), Wayne Goodman (Texas A&M), and Chris Van de Walle (UCSB), will be held August 20 - 25, 2006 on the campus of the University of California, Santa Barbara. The program will consist of invited talks by leaders in the field, presenting overviews and covering the current status of forefront research areas. All participants are encouraged to submit contributed abstracts. The ICMR especially welcomes graduate students, post-docs and early career faculty members, and a limited amount of funding will be available to facilitate attendance.

Sunday-Saturday, August 13-26, 2006 Summer School on Techniques of Surface Sciences and Catalysis

Organization: International Center for Materials Research at the University of California, Santa Barbara
Location: Santa Barbara
Contact: Jennifer Ybarra, Ybarra --> icmr.ucsb.edu
Description: Topics to be covered include experimental theoretical approaches to understanding reactivity at the gas/solid and liquid/solid interface. School coordinated and sponsored jointly with the Partnership for International Research and Educations (PIRE-ECCI) at UCSB. This school will be held at the campus of the University of California, Santa Barbara, and speakers will include professors from both UCSB and other US and overseas institutions. The ICMR welcomes applications from graduate students, post-docs and early career faculty members, and funding is available to facilitate the attendance of participants from the US and overseas.

Sunday-Saturday, August 6-19, 2006 Summer School on Advanced Thermostructural Materials

Organization: International Center for Materials Research at the University of California, Santa Barbara
Location: Santa Barbara
Contact: Jennifer Ybarra, Ybarra --> icmr.ucsb.edu
Description: This school will focus on materials needs in selected energy conversion technologies. This school will be held at the campus of the University of California, Santa Barbara, and speakers will include professors from both UCSB and other US and overseas institutions. The ICMR welcomes applications from graduate students, post-docs and early career faculty members, and funding is available to facilitate the attendance of participants from the US and overseas.

Monday-Friday, July 31 - August 11, 2006 2006 Summer School on Computational Materials Science: Ab Initio Molecular Dynamics Simulation Methods in Chemistry*

Organization: Materials Computation Center, UIUC
Location: Urbana-Champaign
Presenter(s): ;Presenter(s): S. Baroni, SISSA & DEMOCRITOS, Trieste T. Dunning, UIUC M. Elstner, University of Heidelberg, Germany M. Gordon, Iowa State University S. Iyengar, University of Indiana G. Martyna, IBM Yorktown Heights L. Mitas, North Carolina State University T. van Voorhis, MIT
Contact: School Coordinator, summerschool@mcc.uiuc.edu, (217) 333-0512
Applications due: Friday, April 28, 2006
Registration cost: 75.00 USD
Description: This summer school will provide an overview of advanced electronic structure and molecular dynamics methods and their interplay in ab initio molecular dynamics (AIMD) simulations. Theory and practical applications of both density functional theory and wavefunction-based electronic structure methods will be included, as well as classical and quantum molecular dynamics. The goal of the school is to provide students with the background necessary to understand and to use AIMD simulation techniques. The AIMD summer school will include focused sessions on the use and programming of high performance computing, and a hands-on introduction to the Quantum-ESPRESSO codes for electronic structure calculations, structural optimization, and ab initio molecular dynamics. Participants should have some previous familiarity with either electronic structure theory or molecular dynamics techniques. Organizers: AIMD: T. Martnez, D. Ceperley, R. Martin, and D. Johnson (UIUC) QuantumESPRESSO: N. Marzari (MIT) and P. Giannozzi (Scuola Normale Superiore, Pisa, and DEMOCRITOS, Trieste) High-Performance Computing: J. Kim (UIUC)

Sunday-Saturday, July 30 - August 12, 2006 Summer School on Porous Materials

Organization: International Center for Materials Research at the University of California, Santa Barbara
Location: Santa Barbara
Contact: Jennifer Ybarra, Ybarra --> icmr.ucsb.edu
Description: The emphasis of the school will be to provide a broad overview of the field of porous materials, including important concepts and frontier research areas. This school will be held at the campus of the University of California, Santa Barbara, and speakers will include professors from both UCSB and other US and overseas institutions. The ICMR welcomes applications from graduate students, post-docs and early career faculty members, and funding is available to facilitate the attendance of participants from the US and overseas.

Tuesday-Friday, July 18-21, 2006 Models and Theory for Molecular Magnetism

Location: Lyon, France
Contact: Jens Kortus, http://www.cecam.fr/popup.php?content=email&aid=1152
Notes: MCC is offering travel support for this event.

Wednesday-Friday, July 12-14, 2006 Dynamics Days Asia Pacific 4 (DDAP4): 4th International Conference on Nonlinear Science

Location: Pohang, Korea
Presenter(s): ;Presenter(s): List of the confirmed invited speakers: Kazuyuki Aihara (Univ. Tokyo) Eli Ben-Naim (Los Alamos Natl. Lab.) Stefano Boccaletti (CNR-Istituto dei Sistemi Complessi) Giulio Casati (Como) Chi-Keung Chan (Academia Sinica, Taipei) Moo Young Choi (Seoul Natl. Univ.) Peter Grassberger (FZ Juelich) Bai-lin Hao (Fudan Univ. / Academia Sinica) Takahisa Harayama (ATR) Bambi Hu (Hong Kong Baptist Univ. / Univ. Houston) Chin-Kun Hu (Academia Sinica, Taipei) Kunihiko Kaneko (Univ. Tokyo) Roland Ketzmerick (TU Dresden) Yoshiki Kuramoto (Hokkaido Univ.) Choy Heng Lai (Natl. Univ. Singapore) Kyung Jin Lee (Korea Univ.) Anna Lin (Duke Univ.) Rosario Mantegna (Palermo Univ.) Adilson Enio Motter (Northwestern Univ.) Heiko Rieger (Saarbruecken) Rajarshi Roy (Univ. Maryland) Enrico Scalas (Univ. East Piedmont) Kenneth Showalter (West Virginia Univ.) Hideki Takayasu (Sony Computer Sci. Lab.) Bing-Hong Wang (Univ. Sci. and Tech. China)
Contact: Prof. Sang Wook Kim, ddap4 --> apctp.org
Description: We would like to invite you to submit your abstract to Dynamics Days Asia Pacific 4 (DDAP4) - the 4th International Conference on Nonlinear Science. Dynamics Days Asia Pacific is a regular conference rotating among the Asia-Pacific countries and regions every two years. This is the second circular of the conference. Topics: 1) Nonlinear physics 2) Biological physics 3) Nonequilibrium physics 4) Complex networks 5) Econo-physics 6) Quantum/classical chaos 7) Etc -List of the confirmed invited speakers Kazuyuki Aihara (Univ. Tokyo) Eli Ben-Naim (Los Alamos Natl. Lab.) Stefano Boccaletti (CNR-Istituto dei Sistemi Complessi) Giulio Casati (Como) Chi-Keung Chan (Academia Sinica, Taipei) Moo Young Choi (Seoul Natl. Univ.) Peter Grassberger (FZ Juelich) Bai-lin Hao (Fudan Univ. / Academia Sinica) Takahisa Harayama (ATR) Bambi Hu (Hong Kong Baptist Univ. / Univ. Houston) Chin-Kun Hu (Academia Sinica, Taipei) Kunihiko Kaneko (Univ. Tokyo) Roland Ketzmerick (TU Dresden) Yoshiki Kuramoto (Hokkaido Univ.) Choy Heng Lai (Natl. Univ. Singapore) Kyung Jin Lee (Korea Univ.) Anna Lin (Duke Univ.) Rosario Mantegna (Palermo Univ.) Adilson Enio Motter (Northwestern Univ.) Heiko Rieger (Saarbruecken) Rajarshi Roy (Univ. Maryland) Enrico Scalas (Univ. East Piedmont) Kenneth Showalter (West Virginia Univ.) Hideki Takayasu (Sony Computer Sci. Lab.) Bing-Hong Wang (Univ. Sci. and Tech. China) -Abstract submission You can submit your abstract on our website no later than May 1 (Mon), 2006. The acceptance of your submission will be notified around May 15 (Mon). -Proceeding The invited and the contributed papers will be published in a special issue of a SCI journal after the reviewing process. -Registration Early registration is accepted no later than May 30 (Tue). The early registration fee costs US$250 (US$150 for a student). The conference dinner is included in this price. The partial financial support is available for a limited number of participants if requested and approved. Other details related to travel, accommodations, companions, etc will be announced on our website. If you have any questions or need addtional information on DDAP4, please contact the conference secretary Prof. Sang Wook Kim (swkim0412@pusan.ac.kr). Sincerely Yours, Seunghwan Kim, Chair Moo Young Choi, Co-Chair Dynamics Days Asia Pacific (DDAP4) Organizing Committee -- Dynamics Days Asia Pacific 4 (DDAP4) The 4th International Conference on Nonlinear Science Pohang, Korea, July 12 (Wed) - July 14 (Fri), 2006 Topics: 1) Nonlinear physics 2) Biological physics 3) Nonequilibrium physics 4) Complex networks 5) Econo-physics 6) Quantum/classical chaos 7) Etc
Notes: The early registration fee costs US$250 (US$150 for a student). The conference dinner is included in this price. The partial financial support is available for a limited number of participants if requested and approved. Other details related to travel, accommodations, companions, etc will be announced on our website.

Monday-Saturday, July 10-22, 2006 Bangalore Summer School on "Electronic Structure Methods and their Applications"in conjunction with Conference on Computational Materials Theory"

Organization: Jawaharlal Nehru Centre for Advanced Scientific Research
Location: Bangalore, India
Presenter(s): ;Presenter(s): Invited speakers : Stefano Baroni (Trieste) Roberto Car (Princeton) Andrea Dal Corso (Trieste) Dipankar Das Sarma (Bangalore) Stefano de Gironcoli (Trieste) Giulia Galli (Davis) Ralph Gebauer (Trieste) Paolo Giannozzi (Pisa) Bjork Hammer (Aarhus) Manoj Harbola (Kanpur) Karsten Jacobsen (Lyngby) Chakram S. Jayanthi (Louisville) Stephen Jenkins (Cambridge, UK) Dilip Kanhere (Pune) Peter Kratzer (Berlin) Vijay Kumar (Chennai) Zhipan Liu (Fudan) Richard Martin (Urbana) Nicola Marzari (MIT) Abhijit Mookerjee (Kolkata) Marco Buongiorno Nardelli (North Carolina) Talat Rahman (Manhattan, KS) Tanusri Saha-Dasgupta (Kolkata) Nicola Spaldin (Santa Barbara) Ivo Souza (Berkeley) Kiyoyuki Terakura (Sapporo) Erio Tosatti (Trieste) Michael Weinert (Milwaukee)
Contact: Umesh V. Waghmare (JNCASR, India), smr1783 --> jncasr.ac.in
Applications due: Wednesday, March 1, 2006
Description: The goal of this school to introduce graduate students and young researchers, primarily from the South Asian region (but also from elsewhere) to basic concepts as well as new developments in the field of computational materials theory, with the emphasis being on density-functional methods. to enable active researchers in this field to share their work with each other.

Sunday-Friday, July 9-14, 2006 M2S-HTSC VIII-8th International Conference on Materials and Mechanisms of SuperconductivityHigh Temperature Superconductors

Location: Dresden, Germany
Abstracts due: Saturday, October 15, 2005
Description: the 8th International Conference on Materials and Mechanisms of Superconductivity follows previous M2S-HTSC Conferences held in Interlaken, Switzerland (1988), Palo Alto, USA (1989), Kanazawa, Japan (1991), Grenoble, France (1994), Beijing, China (1997), Houston, USA (2000), and Rio de Janeiro, Brazil (2003). M2S-HTSC Conferences have always been a major event in superconductivity due to many breakthroughs and state-of-the-art results presented there. The Dresden conference will be a particular event since in 2006 we celebrate the 20th anniversary of the discovery of high-Tc superconductivity. The conference in Dresden is again dedicated to all aspects of superconductivity and related phenomena. The focus will be around materials, properties and mechanisms. Besides the cuprates, other new oxide superconductors such as the ruthenates and cobaltades have emerged. Borides, borocarbides, doped fullerenes, organic superconductors, and heavy fermion superconductors will also form an important part of the program. The synthesis of these superconductors, the characterization of their physical properties and applications will be an integral part of the conference. The understanding of the mechanism(s) for unconventional superconductivity has for many years been a key issue in condensed matter physics and material science.

Monday-Wednesday, June 26-28, 2006 Patchy Colloids, Proteins and Network Forming Liquids: Analogies and new insights from computer simulations

Location: Lyon, France
Contact: Emanuela Zaccarelli, http://www.cecam.fr/popup.php?content=email&aid=1142
Notes: MCC is offering travel support for this event.

Friday-Sunday, June 23-25, 2006 18th Annual Workshop on Recent Developments in Electronic Structure Methods*

Organization: Ohio State University

Monday-Friday, June 19-23, 2006 Mineral Physics with Computation and Experiment

Location: Lyon, France
Contact: Michele Warren, http://www.cecam.fr/popup.php?content=email&aid=1614
Notes: MCC is offering travel support for this event.

Monday-Wednesday, June 12-14, 2006 State of the art, developments and perspectives of electronic structure calculations in the frame of the Projector Augmented-Wave (PAW) method.

Location: Lyon, France
Contact: Fran&cced;ois Jollet, http://www.cecam.fr/popup.php?content=email&aid=1450
Notes: MCC is offering travel support for this event.

Sunday-Wednesday, June 11-14, 2006 11th International Conference on Theoretical Aspects of Catalysis (ICTAC-11)

Organization: Teikyo University, German campus
Location: Schmoeckwitz, near Berlin, Germany
Presenter(s): ;Presenter(s): The present list of keynote speakers includes - A. Bell, University of California, Berkeley (USA) - G. Ertl, Fritz-Haber Institute, Berlin (Germany) - G. Kresse, University of Vienna, Wien (Austria) - U. Landman, Georgia Tech, Atlanta (USA) - M. Mavrikakis, University of Wisconsin, Madison (USA) - Y. Morikawa, Osaka University, Osaka (Japan) - J. Norskov, CAMP Technical University, Lyngby (Denmark) - P. Saalfrank, University of Potsdam, Potsdam (Germany) - M. Scheffler, Fritz-Haber Institute, Berlin (Germany) - R. Schlgl, Fritz-Haber Institute, Berlin (Germany) - B. Smit, University of Amsterdam, Amsterdam (The Netherlands) - W. Thiel, MPI for Carbon Research, Muehlheim (Germany) - P. Ugliengo, University of Torino, Torino (Italy) - E. Wang, Chinese Academy of Sciences, Beijing (China) - T. Ziegler, University of Calgary, Calgary (Canada)
Contact: Klaus Hermann, Joachim Sauer, ICTAC-11@chemie.hu-berlin.de
Description: The ICTAC-11 meeting will be organized jointly by Klaus Hermann (Theory Department, Fritz-Haber Institute, Berlin) and Joachim Sauer (Quantum Chemistry Group, Humboldt University, Berlin). It continues a worldwide series of meetings which are held biennially and address recent theoretical developments and applications of theoretical methods to problems of catalytic relevance with special focus on heterogeneous catalysis. While the subject attracts mostly researchers with theoretical background emphasis is also put on the interaction between theory and experiment. Therefore, a few invited lectures given by selected high-caliber experimentalists are always included in the program. The meeting can accommodate up to 100 participants who are welcome to submit abstracts for poster or oral presentations (20 mins). The number of oral presentations is limited and decisions of acceptance will be made based on quality and suitability.

Wednesday-Friday, June 7 - August 18, 2006 COMPUTATIONAL CHEMISTRY AND MATERIAL SCIENCE SUMMER INSTITUTE LAWRENCE LIVERMORE NATIONAL LABORATORY

Organization: Lawrence Livermore National Laboratory
Contact: Nancy Hutcheon, hutcheon3 --> llnl.gov
Applications due: Wednesday, February 1, 2006
Description: We are pleased to announce the sixth year of the Computational Chemistry and Material Science (CCMS) Summer Institute at the Lawrence Livermore National Laboratory (LLNL). The goal of the Summer Institute is to provide an opportunity for graduate students to explore and learn some of the cutting-edge methods in computational materials sciences, computational chemistry, and other related areas of computational science during their first few years of graduate study. Each student will spend ten weeks at LLNL as the guest of an LLNL host scientist working on a computational project in the host’s area of expertise. In addition, computational science leaders from universities and laboratories around the country will present a series of mini-courses for the students. These courses will cover state-of-the-art and emerging computational methods in materials science and chemistry, such as computational nanoscience, computational chemistry, computational simulation of materials based on coarse graining and multi-scale modeling, to name a few. Students will be selected from among an open pool of applicants who have demonstrated a strong interest in computational sciences, especially materials science and chemistry. The Institute will run from June 7 to August 18, 2006. Travel funds and a salary in the range of $3500-$4000 per month will be provided to the participants. To apply for the CCMS summer institute, please fill out the application form for job posting number 004965 at the LLNL jobs website, jobs.llnl.gov or click on the link below http://jobs.llnl.gov/psc/jobs/EMPLOYEE/HRMS/s/WEBLIB_LL.VIEW_JOBS_LL.FieldFormula.IScript_View_Jobs_LL?KEYWORD004965 The application deadline is February 1, 2006.

Monday-Friday, June 5-9, 2006 XX SITGES CONFERENCE on STATISTICAL MECHANICS: Physical Biology: from Molecular Interactions to Cellular Behavior

Location: Barcelona, Spain

Monday-Saturday, June 5-24, 2006 Summer School on Quantum Magnetism

Organization: Pacific Institute of Theoretical Physics, Les Houches
Location: Grenoble, France
Applications due: Monday, April 10, 2006
Description: The theme of the school is ’Quantum Magnetism’, and the main topics to be covered by the lecturers will include microscopic theories of magnetism and new quantum materials, exotic order in magnetic systems (ranging from spin chains to ferromagnetic Hall systems), disordered quantum magnets and quantum critical phenomena (including quantum glass systems), spin systems in reduced dimensions and on the nano- or mesoscopic scale, and large-scale quantum phenomena in spin systems and related systems like superconductors and spin superfluids (thus we also address quantum computation and decoherence). More details on the courses and themes can be found on the webpage given above (note that we will have one or two more lecturers than those who have already committed to coming). The lecturers are a mix of theory and experiment, and include many of the best-known experts in condensed matter physics. Apart from the courses in this school there will also be a limited number of seminars, and those who are applying should let the organisers know if they wish to give a seminar.
Notes: MCC is offering travel support for this event.

Sunday-Friday, June 4-9, 2006 CIMTEC 2006

Location: Acireale, Sicily, Italy
Abstracts due: Saturday, October 15, 2005
Description: Computational modelling and simulation will be a major item along the several Sections and Symposia of CIMTEC 2006 "International Conferences on Modern Materials and Technologies". Of interest will be state-of-the-art materials theory and modelling and application of computational techniques to fundamental and applied aspects concerning chemistry, physics, structure, microstructure evolution and properties of materials by using atomistic to multiscale approaches. Computer modeling and simulation of materials processing, of its application in engineering devices, and its role into the rapidly growing field of materials nanoscience and nanotechnology will be deserved special attention. CIMTEC 2006, whose major endorsing bodies are the International Union of Materials Research Societies (IUMRS), the World Academy of Ceramics (WAC) and the International Ceramic Federation (ICF) will feature the 4th FORUM ON NEW MATERIALS and the 11th INTERNATIONAL CERAMICS CONGRESS, each of them hosting a number of Sections, Special Sessions, Symposia and Conferences.

Wednesday-Saturday, May 31 - June 3, 2006 Synergy between Experiment and Computation

Organization: NATIONAL NANOTECHNOLOGY INFRASTRUCTURE NETWORK
Location: Cambridge, Massachusetts
Contact: Dr. Michael Stopa, stopa --> cns.harvard.edu
Description: In this workshop, we will discuss a varied assortment of nanoscale systems and phenomena with an emphasis on computation. The main theme of the conference, the synergy between experiment and computation, will be explored in focused presentations from experimentalists who will describe the impact of computation on their research and what their desiderata might be for future computation. Correspondingly, computational researchers will focus on the outstanding experimental puzzles that their computations address and their desiderata from the experimental world. We will describe the computational tools that are currently available through NNIN/C and those that are being acquired specifically to dove-tail with NNIN experimental themes, from the state-of-the-art research of several groups. We will provide hands-on sessions in order for prospective users to acquire a quick rise on the often steep learning curve of complex codes.
Notes: This event is organized through the NNIN/C and sponsored by the National Science Foundation (NSF).

Monday-Wednesday, May 29-31, 2006 Modelling and simulation of clays over various scales of time and space

Location: Lyon, France
Contact: Virginie Marry, http://www.cecam.fr/popup.php?content=email&aid=1310
Notes: MCC is offering travel support for this event.

Monday-Thursday, May 22-25, 2006 Protein Aggregation

Location: Lyon, France
Contact: Normand Mousseau, http://www.cecam.fr/popup.php?content=email&aid=1192
Notes: MCC is offering travel support for this event.

Monday-Friday, May 22 - June 16, 2006 Summer School for Undergraduates: INTRODUCTION TO THEORETICAL AND EXPERIMENTAL SURFACE PHYSICS

Organization: Clemson University and CIU (Consortium of International Universities)
Location: Paderno del Grappo, Italy
Description: INTRODUCTION TO THEORETICAL AND EXPERIMENTAL SURFACE PHYSICS will provide two parallel and coordinated courses (one in theory and the other in experiment) in the exciting field of surface physics. Students will received unmatched training in preparation for graduate school while immersed in the rich international venue of Italy’s Veneto. Classroom instruction is set in picturesque Paderno del Grappo, 25 miles North of Venice. The course features one week of hands-on experimental training at the Surface Physics Laboratory of Elettra in Trieste.

Sunday-Saturday, May 21 - June 3, 2006 Virtual Laboratory for Earth and Planetary Materials (VLab) Tutorial

Organization: Virtual Laboratory for Earth and Planetary Materials
Location: Minneapolis, Minnesota
Contact: Debbie Schutta, dschutta --> msi.umn.edu
Description: The Virtual Laboratory for Earth and Planetary Materials, VLab (http://www.vlab.msi.umn.edu), the Minnesota Supercomputing Institute for Digital Technology and Advanced Computation (MSI), and the Italian National Simulation Center DEMOCRITOS (http://www.democritos.it/) announce a 2-week tutorial on first principles calculations. The tutorial will take place between May 21 and June 03, 2006, at MSI, University Of Minnesota, Minneapolis. The syllabus will include some of these topics: 1st-2nd weeks: electron gas, Bloch functions and band structure, phonons, Hartree-Fock method, Density Functional Theory, exchange correlation functionals, pseudopotentials, density functional perturbation theory, molecular dynamics. 2nd week: Quantum ESPRESSO package, i.e., PWSCF, PHONON, CPWe, plus auxiliary programs.

Monday-Thursday, May 15-18, 2006 New developments for first principles molecular dynamics simulations in condensed matter and molecular physics

Location: Lyon, France
Contact: Ivano Tavernelli, http://www.cecam.fr/popup.php?content=email&aid=1463
Notes: MCC is offering travel support for this event.

Monday-Friday, May 8-12, 2006 Spintronics Workshop

Contact: ias --> ntu.edu.sg

Sunday-Tuesday, May 7-9, 2006 95th STATISTICAL MECHANICS CONFERENCE

Organization: Rutgers University
Location: Piscataway
Contact: Professor Joel L. Lebowitz, lebowitz --> sakharov.rutgers.edu
Description: The list of tentative speakers and titles includes: D. Abraham, Oxford University, d.abraham1--> physics.oxford.ac.uk The Geodesic-zigzag Phase Transition: Statics and Dynamics C. A. Angell, Arizona State University, caa--> asu.edu Design, by "Potential Tuning" MD, of a Monatomic Metallic Glassformer: Its Liquid State Properties, and Its Realization in the Laboratory Y. Avron, Technion - Israel Institute of Technology, avron--> physics.technion.ac.il Swimming in a Quantum Sea W. Bialek, Princeton University, wbialek--> Princeton.EDU Maximum Entropy Models for Biological Networks M. Biskup, UCLA, biskup--> math.ucla.edu Phase Coexistence of Gradient Gibbs Measures P. Bleher, Indiana University, bleher--> math.iupui.edu Exact Solution of the Six-Vertex Model with Domain Wall Boundary Conditions Th. Bodineau, ENS, bodineau--> math.jussieu.fr Current Large Deviations for Stochastic Particle Systems J. Cardy, Oxford University,cardy--> thphys.ox.ac.uk Self-Avoiding Loops in Two Dimensions P. Chaikin, Princeton University, chaikin--> Princeton.EDU TBA S. Chen, Johns Hopkins University, syc--> jhu.edu Multiscale Modeling of Micro- and Nano-Fluidics P. Deift, NYU, deift--> cims.nyu.edu TBA E. Domany, Weizmann Institute, eytan.domany--> weizmann.ac.il TBA D. Farmer, Santa Fe Institute, jdf--> santafe.edu TBA D. Duerr, Muenchen University, duerr--> mathematik.uni-muenchen.de On Spontaneous Pair Creation W. E, Princeton University, weinan--> princeton.edu TBA D. Fisher, Harvard University, fisher--> physics.harvard.edu Can Facts about Evolution be Confirmed by Theory? G. Kozma, IAS, gady--> ias.edu One-Dimensional Long-Range Diffusion-Limited Aggregation J. Krug, University of Koeln, krug--> thp.Uni-Koeln.DE Statistical Mechanics of Step Bunches J. Kurchan, CNRS, Paris, jorge--> pmmh.espci.fr Shear-Thickening and the Glass Transition P. Leath, Rutgers University, leath--> physics.rutgers.edu Dynamics of Dielectric Breakdown Paths R. Levy, Rutgers University, ronlevy--> lutece.rutgers.edu Protein Folding and Binding: Insights from Replica Exchange and Network Models M. Loss, Georgia Institute of Technology, loss--> math.gatech.edu Mathematical Problems in Non-Relativistic QED J. Machta, University of Massachusetts, Amherst, machta--> physics.umass.edu TBA B. Nachtergaele, University of California, Davis, bxn--> math.ucdavis.edu The Exponential Clustering Theorem and Related New Results for Quantum Spin Systems S. Olla, Ceremade, olla--> ceremade.dauphine.fr Microscopic Models for Thermal Conductivity. A. Ping, Washington University, aoping--> u.washington.edu Potential Function and Fitness Landscape in Biology, Physics, and Economy L. Rey-Bellet, University of Massachusetts, Amherst, lr7q--> math.umass.edu TBA P. Sarnak, Princeton University, sarnak--> math.princeton.edu TBA V. Sidoravicius, IMPA, Brazil/Courant Institute, sidoravi--> cims.nyu.edu TBA G. Slade, University of British Columbia, slade--> math.ubc.ca The Survival Probability for Critical Oriented Percolation above 4 + 1 Dimensions U. Smilansky, Weizmann Institute, uzy.smilansky--> weizmann.ac.il Can One Count the Shape of a Drum T. Spencer, IAS, spencer--> math.ias.edu An Overwiew of Super Symmetry and Random Matrices S. Starr, UCLA, sstarr--> math.ucla.edu Phase Transitions in some Quantum Spin Systems with Large Spins D. Stein, NYU, daniel.stein--> nyu.edu TBA S. Teufel, University of Tuebingen, stefan.teufel--> uni-tuebingen.de TBA F.-L. Toninelli, ENS, Lyon, fabio-lucio.toninelli--> ens-lyon.fr Depinning Transitions for Directed Polymers with Quenched Randomness H. van Beijeren, University of Utrecht, H.vanBeijeren--> phys.uu.nl TBA R. Varadhan, NYU, varadhan--> cims.nyu.edu TBA H.-T. Yau, Harvard University, htyau--> math.harvard.edu TBA

Sunday-Tuesday, May 7-9, 2006 95th STATISTICAL MECHANICS CONFERENCE

Organization: Rutgers University
Location: Piscataway
Contact: Professor Joel L. Lebowitz, lebowitz --> sakharov.rutgers.edu
Description: The list of tentative speakers and titles includes: D. Abraham, Oxford University, d.abraham1--> physics.oxford.ac.uk The Geodesic-zigzag Phase Transition: Statics and Dynamics C. A. Angell, Arizona State University, caa--> asu.edu Design, by "Potential Tuning" MD, of a Monatomic Metallic Glassformer: Its Liquid State Properties, and Its Realization in the Laboratory Y. Avron, Technion - Israel Institute of Technology, avron--> physics.technion.ac.il Swimming in a Quantum Sea W. Bialek, Princeton University, wbialek--> Princeton.EDU Maximum Entropy Models for Biological Networks M. Biskup, UCLA, biskup--> math.ucla.edu Phase Coexistence of Gradient Gibbs Measures P. Bleher, Indiana University, bleher--> math.iupui.edu Exact Solution of the Six-Vertex Model with Domain Wall Boundary Conditions Th. Bodineau, ENS, bodineau--> math.jussieu.fr Current Large Deviations for Stochastic Particle Systems J. Cardy, Oxford University,cardy--> thphys.ox.ac.uk Self-Avoiding Loops in Two Dimensions P. Chaikin, Princeton University, chaikin--> Princeton.EDU TBA S. Chen, Johns Hopkins University, syc--> jhu.edu Multiscale Modeling of Micro- and Nano-Fluidics P. Deift, NYU, deift--> cims.nyu.edu TBA E. Domany, Weizmann Institute, eytan.domany--> weizmann.ac.il TBA D. Farmer, Santa Fe Institute, jdf--> santafe.edu TBA D. Duerr, Muenchen University, duerr--> mathematik.uni-muenchen.de On Spontaneous Pair Creation W. E, Princeton University, weinan--> princeton.edu TBA D. Fisher, Harvard University, fisher--> physics.harvard.edu Can Facts about Evolution be Confirmed by Theory? G. Kozma, IAS, gady--> ias.edu One-Dimensional Long-Range Diffusion-Limited Aggregation J. Krug, University of Koeln, krug--> thp.Uni-Koeln.DE Statistical Mechanics of Step Bunches J. Kurchan, CNRS, Paris, jorge--> pmmh.espci.fr Shear-Thickening and the Glass Transition P. Leath, Rutgers University, leath--> physics.rutgers.edu Dynamics of Dielectric Breakdown Paths R. Levy, Rutgers University, ronlevy--> lutece.rutgers.edu Protein Folding and Binding: Insights from Replica Exchange and Network Models M. Loss, Georgia Institute of Technology, loss--> math.gatech.edu Mathematical Problems in Non-Relativistic QED J. Machta, University of Massachusetts, Amherst, machta--> physics.umass.edu TBA B. Nachtergaele, University of California, Davis, bxn--> math.ucdavis.edu The Exponential Clustering Theorem and Related New Results for Quantum Spin Systems S. Olla, Ceremade, olla--> ceremade.dauphine.fr Microscopic Models for Thermal Conductivity. A. Ping, Washington University, aoping--> u.washington.edu Potential Function and Fitness Landscape in Biology, Physics, and Economy L. Rey-Bellet, University of Massachusetts, Amherst, lr7q--> math.umass.edu TBA P. Sarnak, Princeton University, sarnak--> math.princeton.edu TBA V. Sidoravicius, IMPA, Brazil/Courant Institute, sidoravi--> cims.nyu.edu TBA G. Slade, University of British Columbia, slade--> math.ubc.ca The Survival Probability for Critical Oriented Percolation above 4 + 1 Dimensions U. Smilansky, Weizmann Institute, uzy.smilansky--> weizmann.ac.il Can One Count the Shape of a Drum T. Spencer, IAS, spencer--> math.ias.edu An Overwiew of Super Symmetry and Random Matrices S. Starr, UCLA, sstarr--> math.ucla.edu Phase Transitions in some Quantum Spin Systems with Large Spins D. Stein, NYU, daniel.stein--> nyu.edu TBA S. Teufel, University of Tuebingen, stefan.teufel--> uni-tuebingen.de TBA F.-L. Toninelli, ENS, Lyon, fabio-lucio.toninelli--> ens-lyon.fr Depinning Transitions for Directed Polymers with Quenched Randomness H. van Beijeren, University of Utrecht, H.vanBeijeren--> phys.uu.nl TBA R. Varadhan, NYU, varadhan--> cims.nyu.edu TBA H.-T. Yau, Harvard University, htyau--> math.harvard.edu TBA

Friday-Sunday, April 21-23, 2006 DFTEM 2006

Location: Vienna, Austria
Presenter(s): ;Presenter(s): Invited speakers confirmed so far include:

Ole K. Andersen, MPI Stuttgart, Germany Peter Bloechl, Clausthal University of Technology, Germany Gianluigi Botton, McMaster University, Hamilton, Canada Frank de Groot, Utrecht, Netherlands Boerje Johansson, Uppsala, Sweden Klaus Leifer, Uppsala, Sweden Georg Madsen, Aarhus, Denmark Manu Perez-Mato, Bilbao, Spain John Rehr, Seattle, USA Matthias Scheffler, FHI Berlin, Germany Virginie Serin, CENES, France Eric L. Shirley, NIST, USA David Singh, Oak Ridge NL, USA Susanne Stemmer, Santa Barbara, California, USA Isao Tanaka, Kyoto, Japan Samuel B. Trickey, Gainesville, Florida, USA
Contact: Joachim Luitz
Description: This three-day conference will focus on Density Functional Theory (DFT) and Transmission Electron Microscopy (TEM) with the intention of bringing together these two communities. The conference is dedicated to Karlheinz Schwarz (DFT) and Bernard Jouffrey (TEM) on the occasion of their respective birthdays, which we will celebrate at the conference dinner. The conference will follow two days of separate workshops for the two fields.

Wednesday-Friday, April 19-21, 2006 Data representation and code interoperability for computational materials physics and chemistry

Location: Lyon, France
Contact: Alberto Garcia, http://www.cecam.fr/popup.php?content=email&aid=1277
Notes: MCC is offering travel support for this event.

Wednesday-Sunday, April 19-23, 2006 DFTEM 2006-bringing together two communities

Location: Vienna, Austria
Presenter(s): ;Presenter(s): Invited speakers confirmed so far include:

Ole K. Andersen, MPI Stuttgart, Germany Peter Bloechl, Clausthal University of Technology, Germany Gianluigi Botton, McMaster University, Hamilton, Canada Frank de Groot, Utrecht, Netherlands Boerje Johansson, Uppsala, Sweden Klaus Leifer, Uppsala, Sweden Georg Madsen, Aarhus, Denmark Manu Perez-Mato, Bilbao, Spain John Rehr, Seattle, USA Matthias Scheffler, FHI Berlin, Germany Virginie Serin, CENES, France Eric L. Shirley, NIST, USA David Singh, Oak Ridge NL, USA Susanne Stemmer, Santa Barbara, California, USA Isao Tanaka, Kyoto, Japan Samuel B. Trickey, Gainesville, Florida, USA
Contact: Joachim Luitz
Registration cost: 100.00 EUR
Description: THE CONFERENCE || April 21-23, 2006
============================================================================
This three-day conference will focus on Density Functional Theory (DFT) and
Transmission Electron Microscopy (TEM) with the intention of bringing
together these two communities. The conference is dedicated to Karlheinz
Schwarz (DFT) and Bernard Jouffrey (TEM) on the occasion of their
respective birthdays, which we will celebrate at the conference dinner.
The conference will follow two days of separate workshops for the two
fields.
============================================================================
THE WORKSHOPS || April 19+20, 2006
============================================================================
12th WIEN2k Workshop
This WIEN workshop deals with density functional (DFT) calculations of
solids using the (full-potential) Augmented Plane Wave plus Local Orbitals
(APW+lo) method as embodied in the WIEN2k code (http://www.wien2k.at) and
related topics.
2nd CHIRALTEM Workshop
The CHIRALTEM project (http://www.chiraltem.physics.at/) is one of the ten
STREPs (specific targeted research projects) within the NEST (New and
emerging science and technology) support actions of the European
Community.
============================================================================
SCIENTIFIC PROGRAM
============================================================================
The scientific program of the conference will include invited talks,
contributed talks and posters. Extended and refereed abstracts will be
published.
Notes: Student discount for combo-pack. The fees include welcome reception, coffee breaks, conference dinner
and conference book.

Thursday, April 13, 2006 Workshop Modelling tools in materials science

Organization: Delft University of Technology
Location: Delft, The Netherlands
Contact: Marianne van Baaren, M.J.VanBaaren --> TNW.TUDelft.NL
Description: Delft Centre for Materials is organising a workshop in Delft to bring together various aspects of materials modelling on different scales: electronic structure, atomistic, mesoscale, microscale and continuum. The field is developing rapidly and the workshop will provide an overview of current and up-and-coming modelling methods, plus their application.

Monday-Wednesday, April 3-5, 2006 Conference on Multi-scale modelling: Electrons, Molecules and (Bio)Materials

Organization: Royal Netherlands Academy of Arts and Sciences
Location: Amsterdam, The Netherlands
Contact: J.D. Schiereck/ L.H.W. Noor, wnt --> bureau.knaw.nl
Registration cost: 200.00 Euro
Description: Computational physics and chemistry of complex systems has recently started to develop. The aim of this workshop is to address this new and very important field and to organise a discussion and, potentially, close collaboration between physicists and chemists from the communities of microscopic (first-principle) theory of inter-atomic interactions and related properties of matter, and phenomenological theory of meso-scale and macroscopic phenomena in molecular and solid state systems.

Thursday-Saturday, March 9-11, 2006 Novel theoretical aspects of frustrated spin systems

Location: Lyon, France
Contact: Pujol Pierre, http://www.cecam.fr/popup.php?content=email&aid=1042
Notes: MCC is offering travel support for this event.

Monday-Friday, March 6-17, 2006 Spring School 2006: Computational Methods in Condensed Matter Physics (DFT, Correlated Electrons, Monte Carlo, Soft Matter, Biophysics,Supercomputing)

Organization: Forschungszentrum Juelich
Location: Germany
Contact: Erik Koch and Stefan Bluegel, theorie1 --> fz-juelich.de
Applications due: Thursday, December 22, 2005
Description: The Forschungszentrum Juelich has a long tradition in organizing these spring schools, which covered over the years a large spectrum of active subjects in condensed matter research. The lectures focus on students, particularly PhD students in physics and related areas, such as chemistry and material science. There is no conference fee and the book which goes with the lectures is free of charge. Low-cost accomodation has been arranged for at the youth hostel in Aachen. The fee is 320 Euro including breakfast and dinner.

Sunday-Tuesday, March 5-7, 2006 21st Austin Symposium on Molecular Structure

Organization: UT Austin
Location: Austin
Description: The Austin Symposia bring together scientists from a wide background of structure analysis including diffraction, spectroscopy and theoretical methods from all over the world. The mix of experts using different approaches to a common goal has proved to provide a highly stimulating environment for cross-disciplinary interaction.

The program consists of a few invited lectures, many short talks, two large poster sessions, and abundant opportunity and stimulus for conversation. There are no concurrent sessions. Students are welcome.

Sunday-Friday, February 19-24, 2006 International Workshop on Ab-initio Description of Iron and Steel (ADIS-2006): Status and future challenges

Location: Ringberg Castle, Tegernsee, Germany
Presenter(s): ;Presenter(s):
Contact: adis2006@mpie.de
Applications due: Tuesday, December 20, 2005
Registration cost: 700.00 Euro
Description: The focus of the meeting will be on the combination of ab-initio approaches with various thermodynamic and kinetic concepts to model finite-temperature properties/processes and phase transitions of realistic materials such as metal alloys. Key experts in both fields have been invited to give tutorial-like lectures on recent methodological advances and future applicational challenges. All participants have the opportunity to present their results in poster sessions. A selected number of 30-minute oral contributions will also be possible.
Notes: Since it is funded by Psi-k, a partial support for young scientists is possible.

Thursday-Saturday, February 9-11, 2006 HBCU-UP Meeting

Location: Baltimore
Contact: Sandra Thomas, sthomas at igert dot org, 866-593-9103
Description: The National Science Foundation’s Historically Black Colleges and Universities Undergraduate Program (HBCU-UP) provides awards to build the science, technology, engineering and mathematics (STEM) education and research at HBCUs as a means to broaden participation in the Nation’s STEM workforce. This meeting is sponsored by the NSF and provides an excellent opportunity to meet faculty and students from Historically Black Colleges and Universities-Undergraduate Programs (HBCU-UP) who are working in STEM research areas. There will be two full days of undergraduate student research presentations.

Sunday-Tuesday, December 18-20, 2005 94th Statistical Mechanics Conference

Organization: Rutgers University
Contact: Joel L. Lebowitz, lebowitz --> sakharov.rutgers.edu
Description: At this meeting we will celebrate the birthdays of Cirano De Dominicis and Paul Martin.

Thursday, November 3, 2005 Network for Computational Nanotechnology (NCN)

Contact: Narayan Aluru, aluru-->uiuc.edu

Friday-Wednesday, October 21-26, 2005 International Conference on Computational Methods in Scienceand Engineering (ICCMSE)

Location: Loutraki , Korinthos, Greece
Description: This year the ICCMSE has a strong computational chemistry and physics component. The full list of symposia can be seen at http://www.uop.gr/~iccmse/Sessions_Minisymposia.htm

Thursday-Saturday, October 20-22, 2005 Workshop on Computational Materials and Molecular Electronics

Organization: The Institute for the Theory of Advance Materials
Contact: James R. Chelikowsky, Assistant: Ruth Hengst, jrc ---> ices.utexas.edu; ruth --> ices.utexas.edu, (512) 232-9083 (Direct); R. Hengst: (512) 232-5158
Register before: Saturday, October 1, 2005
Description: The Institute for the Theory of Advance Materials in Information Technology will be holding a three day workshop on October 20-22, 2005 in Austin, Texas. The workshop will focus on computational materials and molecular electronics. Also, contact the organizers if you are interesting in getting some travel support. The Institute has some limited funding for travel. > > Hope to see you in Austin. > > Best wishes on behalf of the organizers. >

Monday-Wednesday, October 17-19, 2005 4th Annual Workshop on Charm++ and its Applications 2005

Contact: Eric Bohm, ebohm ---> uiuc.edu
Abstracts due: Friday, September 2, 2005
Description: Charm++/AMPI and the frameworks built upon them have emerged as powerful parallel programming systems in recent years. By allowing the programmer to divide the computation into a large number of entities, which are mapped to the available processors by an intelligent runtime system, Charm++ enables a separation of concerns that leads to both improved productivity and higher performance. Powerful abstractions are available in the FEM, POSE, MSA, and Multiblock frameworks. Charm++ frameworks have enabled applications ranging from molecular dynamics, cosmology, network simulation, materials science, and rocket simulation.

The workshop will focus on showcasing the latest leading research in parallel processing using Charm++ and its frameworks.

Topics will include advances in Parallel Simulation with POSE; Fault Tolerance techniques; Communication Optimization libraries and frameworks; Load Balancing strategies; as well as advances in AMPI/Charm++ primitives and runtime system.

Authors and attendees are encouraged to share their experiences with the systems built upon Charm++/AMPI as well as Charm++/AMPI itself. The workshop will be a forum for developers and users of Charm++ to interact closely.

The workshop is also aimed at taking stock of the funded collaborative interdisciplinary research projects involving the Charm++ system.

Tutorials:

There will be several tutorials demonstrating the different features of Charm++. The tutorials will be presented by the Charm++ developers. Attendees are required to register for the tutorials. Following is the tentative list of tutorials:

Charm++ and virtualization tutorial How to write applications using Adaptive MPI Using POSE for Parallel Discrete Event Simulation Running your application on BigSim Projections: Performance analysis FEM framework How to install and use the Faucets adaptive scheduler

Call For Papers:

Authors are invited to submit short manuscripts that demonstrate research and development in all areas of parallel processing using Charm++ and AMPI. Submissions should be in the form of extended abstracts up to 3 pages formatted in standard IEEE format. The papers will not be published and the authors are encouraged to publish them in other conferences. Some of the topics of interest are:

Parallel and Distributed Applications in science and engineering Parallel Discrete Event Simulation techniques and applications Parallel libraries and frameworks Extensions and new features in Charm++ Massively parallel processing on future machines Novel parallel programming models

Please send submissions to Eric Bohm (ebohm--->uiuc.edu) by the deadline below.
Notes: Hosted by the Parallel Programming Laboratory Department of Computer Science University of Illinois at Urbana-Champaign

Monday-Wednesday, October 10-12, 2005 CNF Fall Workshop: Modeling the Nanoscale World

Location: Ithaca
Contact: Derek Stewart
Register before: Friday, September 16, 2005
Description: Cornell Nanoscale Science and Technology Facility (CNF) Ithaca, NY United States The nanoscale regime provides an important arena where scientific disciplines converge to study systems that can have tremendous fundamental and commercial impact. Computational approaches provide a crucial window into the nanoscale world. These codes help explain nanoscale phenomena and guide future studies. However, in order to successfully use these computational techniques with experimental tools, researchers must learn about the principles and areas of application associated with each code. This workshop will provide introductions on several computational approaches that are essential for nano-materials, nano-chemistry, and nano-photonics. Morning lectures on the theory behind approaches will be followed by hands-on afternoon sessions on each code. In some cases, the participants will be able to learn directly from the code’s creator. Graduate students and young researchers with theory or experimental backgrounds are encouraged to attend. More seasoned members of the field are also encouraged to come and share their knowledge. Tutorials will be provided on codes such as Abinit, LM Suite, Layered KKR, NWChem, CPMD, MIT Photonic Bands, and FDTD approaches. Poster Abstract Deadline: August 9th, 2005 Registration deadline:September 16, 2005 Seating is limited to 30-40 participants. Please register early! This event is organized through the NNIN/C (http://www.nnin.org/nnin_compsim.html) and sponsored by the National Science Foundation (NSF) Organizer: Derek Stewart (http://www.cnf.cornell.edu) Contact details Dr. Derek Stewart 250 Duffield Hall Cornell Nanoscale Facility Ithaca 14850 New York United States E-mail: stewart@cnf.cornell.edu
Notes: Seating is limited to 30-40 participants. Please register early!

Saturday-Sunday, October 8-9, 2005 52nd Midwest Solid State Conference - 2005

Organization: University of Missouri-Columbia
Location: Columbia
Contact: Sarah Hill, 573-884-1270

Monday-Friday, September 26-30, 2005 TUTORIAL ON THE AB-INITIO SIMULATION OF THE ELECTRONIC, STRUCTURAL AND DYNAMICAL PROPERTIES OF MATERIALS: a hands-on introduction to the quantum-ESPRESSO package (PWscf-FPMD-CP)

Location: Cagliari, Italy
Presenter(s): ;Presenter(s): "TUTORIAL ON THE AB-INITIO SIMULATION OF THE ELECTRONIC, STRUCTURAL AND DYNAMICAL PROPERTIES OF MATERIALS: a hands-on introduction to the quantum-ESPRESSO package (PWscf-FPMD-CP)" in the period September 26-30, in Cagliari (Italy). The workshop will provide a practical approach to the calculation of material properties with the PWscf/FPMD/CP computer code. The tutorial is suitable for students and researchers interested in approaching atomic-scale simulations of matter using density-functional theory (no prior specific experience in scientific calculations is required), or who wish to acquire specific practical know-how about the quantum-ESPRESSO package. The number of participants is limited to 30. SLACS will contribute to the expenses by covering the participation fee and the lodging (half board). To apply send a CV to <workshop@dsf.unica.it> before July 1st, 2005. Participants will receive confirmation by July 5th, 2005.
Abstracts due: Tuesday, July 5, 2005
Applications due: Tuesday, July 5, 2005
Description: The workshop will provide a practical approach to the calculation of material properties with the PWscf/FPMD/CP computer code. The tutorial is suitable for students and researchers interested in approaching atomic-scale simulations of matter using density-functional theory (no prior specific experience in scientific calculations is required), or who wish to acquire specific practical know-how about the quantum-ESPRESSO package. The number of participants is limited to 30. SLACS will contribute to the expenses by covering the participation fee and the lodging (half board).

Saturday-Wednesday, September 17-21, 2005 Psi-k 2005 Conference

Location: Schwbisch Gmnd, Germany
Presenter(s): ;Presenter(s): See http://www.fyslab.hut.fi/psik2005/plenary.html for a list of speakers.
Description: Psik-2005 will cover theoretical and computational research of electronic structure and properties of matter, ranging from new materials to systems of biological interest. The conference carries the motto "Toward atomistic materials design", and is supported by the Psi-k Programme and Network (psi-k.dl.ac.uk) of the European Science Foundation. Details concerning the programme, participation, accommodation and funding will be available in due course (see the provisional organisational timetable).
Notes: MCC is offering travel support for this event.

Monday-Thursday, September 12-15, 2005 356th Wilhelm and Else Heraeus Seminar: 40 Years of the GW Approximation for the Electronic Self-Energy: Achievements and Challenges

Location: Bad Honnef, Germany
Abstracts due: Friday, July 15, 2005
Applications due: Friday, July 15, 2005
Description: Since its original conception in 1965, the GW approximation has become an indispensable tool for ab initio electronic-structure calculations and is now recognised as the most accurate method to study excited states in solids. The last few years, in particular, have seen a marked rise in new applications and theoretical developments. The 356th Wilhelm and Else Heraeus Seminar will focus on the current progress and on the perspectives for the investigation of electronic excitations from first principles. Speakers from leading international groups will give in-depth overviews of current research activities and place recent results into context. The meeting aims at providing an informal atmosphere for stimulating discussions between researchers working in this exciting field. Young researchers (Ph.D. students and postdocs) are particularly encouraged to present their work. We are looking forward to lively discussions and exchange of ideas in the inspiring atmosphere of the Physikzentrum Bad Honnef, located near Bonn and Cologne on the beautiful Rhine river. The seminar is financially supported by the Wilhelm und Else Heraeus- Stiftung and the EU’s Sixth Framework Programme through the NANOQUANTA Network of Excellence.

Monday-Friday, September 12 - December 16, 2005 Bridging Time and Length Scales in Materials Science and Bio-Physics

Description: It is the aim of this program to bring together scientists and mathematicians with expertise in modeling, analysis and computation that is valid on all different time and length scales, from the atomistic to the continuum. A main goal is to facilitate modeling that combines these different modeling techniques. Moreover, we want to bring together scientists from seemingly different areas such as physics, materials sciences, mathematics, and biology. Many of the challenges in these different areas are similar, and we trust that these different communities can learn a lot from each other, which undoubtedly will initiate great synergetic contacts and collaborations.

Monday-Friday, September 5-9, 2005 Euromat

Location: Prague
Applications due: Monday, January 31, 2005
Description: Euromat is the biennial meeting of the Federation of European Materials Societies with its 24 member societies. It is the premier pan-european event covering the complete range of Materials Science and Technology.

Sunday-Saturday, August 21 - September 3, 2005 Summer School "First Principles Calculations for Condensed Matter and Nanoscience"

Organization: University of Californiaat Santa Barbara
Location: Santa Barbara
Description: ABINIT being the workhorse for hands-on sessions, in this summer school (with OPIUM for pseudopotentials), this two-week event might interest ABINIT newcomers and even confirmed ABINIT users.

Wednesday-Monday, July 20 - August 1, 2005 INTERNATIONAL SCHOOL OF SOLID STATE PHYSICS--34th Course: Computer Simulations in Condensed Matter: from Materials to Chemical Biology

Location: Sicily, Italy
Applications due: Sunday, May 1, 2005
Description: Perspectives in celebration of the 65th Birthday of Mike Klein.
The purpose of this Course is to provide students/participants with an up-to-date overview of possibly all technical advances of computer simulation in statistical mechanics, giving a fair glimpse to the domains of interesting applications.
This will be the third event of the series, 10 years after the COMO Enrico Fermi Summer School on Monte Carlo and Molecular Dynamics of Condensed Systems, and 20 years after the VARENNA Enrico Fermi Summer School on Molecular dynamics of statistical mechanical systems.
Notes: MCC is offering travel support for this event.

Monday-Thursday, June 27-30, 2005 From gases to glasses in granular matter: Thermodynamic and hydrodynamic aspects

Location: Lyon, France
Contact: P. Viot,J. Talbot
Notes: MCC is offering travel support for this event.

Thursday-Sunday, June 23-26, 2005 17th Annual Workshop on Recent Developments in Electronic Structure Methods

Organization: Cornell University
Location: Ithaca
Contact: Cyrus Umrigar, Tomas Arias, Garnet Chan, Local Organizing Committee
Description: This workshop will bring together active participants in electronic structure theory from universities, colleges, and government and industrial labs around the world. The invited oral presentations and contributed posters will describe new methods for computing previously inaccessible properties, breakthroughs in computational efficiency and accuracy, and novel applications of these approaches to the study of molecules, liquids, and solids.
Notes

Saturday-Tuesday, June 18 - August 16, 2005 COMPUTATIONAL CHEMISTRY AND MATERIAL SCIENCE SUMMER INSTITUTE LAWRENCE LIVERMORE NATIONAL LABORATOR

Contact: Andrew Williamson, Academic Director; Mike McElfresh, Director, summer.institute at llnl.gov
Applications due: Friday, January 14, 2005
Description: The goal of the Summer Institute is to provide an opportunity for graduate students to explore and learn some of the cutting-edge methods in computational materials sciences, computational chemistry, and other related areas of computational science during their first few years of graduate study. Each student will spend ten weeks at LLNL as the guest of an LLNL host scientist working on a computational project in the host's area of expertise. In addition, computational science leaders from universities and laboratories around the country will present a series of mini-courses for the fellows. These courses will cover state-of-the-art and emerging computational methods in materials science and chemistry, while student fellows focus on the practical aspects of their numerical implementation. The lecture program covers topics of current interest, such as computational nanoscience, computational chemistry, computational simulation of materials based on coarse graining and multi-scale modeling, to name a few. Summer fellows will be selected from among an open pool of applicants who have demonstrated a strong interest in computational sciences, especially materials science and chemistry. The Institute will run from June 8 to August 16, 2005. Travel funds and a generous stipend will be provided to the participants.

Tuesday-Saturday, June 14-18, 2005 International Conference on Finite Fermionic Systems: Nilsson Model 50 Years

Location: Lund, Sweden
Contact: Ragnar Bengtsson, Claes Fahlander, Ingemar Ragnarsson, Stephanie Reimann, Dirk Rudolph, & Sven Aberg, Nilsson2005 at matfys.lth.se
Abstracts due: Thursday, April 1, 2004
Description: An international conference on finite fermionic systems, with which we intent to celebrate the 50th anniversary of the Nilsson Model, formulated by Sven Gösta Nilsson at Lund, Sweden, in 1955.

Monday-Friday, June 13-24, 2005 Hands-on introduction to Electronic Structure and Thermodynamics Calculations of Real Materials*

Organization: Materials Computation Center, UIUC
Location: Materials Research Laboratory, Urbana
Presenter(s): ;Presenter(s): Density Functional Theory Methods for Electronic Structure: Don R. Hamann, (Bell Labs, Rutgers), Jeongnim Kim (UIUC), Richard M. Martin (UIUC), Miguel Pruneda (Cambridge)

Prediction of Thermodynamic and Kinetic Properties of Real Materials: Tentative list of speakers includes Gus Hart (ASU), Duane D. Johnson (UIUC), Dane Morgan (Wisconsin), Vidvuds Ozolins (UCLA), Anton ven der Ven (Michigan)
Contact: Summer School Coordinator, summerschool@mcc.uiuc.edu
Register before: Friday, May 6, 2005
Description: School format includes lectures and hands-on computer labs. On Monday, June 13, 2005, there will be an afternoon review session on Unix fundamentals and on compilers used in the lab.

The instructional level of the school will be appropriate to graduate students and post-docs, and will include both lectures and computer laboratories.

Monday-Thursday, May 16-19, 2005 EXC!TiNG Symposium on Excited-state properties of solids

Location: Maritim Parkhotel Mannheim, Mannheim, Germany
Presenter(s): ;Presenter(s): Invited speakers (including):
H. Ebert (Munich)
G. Ju (Seagate)
L. Reining (Palaiseau)
A. Rubio (San Sebastian)
E. Runge (Ilmenau)
Contact: Dr. Torsten Andersen, Organizing Committee Member
Abstracts due: Monday, January 10, 2005
Applications due: Monday, January 10, 2005
Description: This International Symposium will be organized in Mannheim by the Condensed Matter Theory Group of Kaiserslautern University of Technology within the framework of the European Union Research Training Network 'Exciting', and it should bring together researchers active in the field of excited-state properties of low-dimensional condensed matter systems. Over the past few years, progress has been achieved in combining the field of nanomaterials with first-principles calculations, and this conference will cover the excited-state properties of these materials from both theoretical, experimental and applicational points of view. Sessions will be centered around the following themes: -Theory: time-dependent density-functional theory. -Theory: Hedins GW method and the Bethe-Salpeter Equation. -Theory: quantum-chemical calculations of excited-state properties. -Code development and application: the 'Exciting' code. -Materials: nanostructures (magnetic and nonmagnetic), superconductors, semiconductors, oxides, molecules. -Spectroscopy: Raman scattering, two-photon photoemission, second-harmonic generation. -Industrial applications. The presentations at the conference will comprise invited lectures, contributed talks and posters, as well as a hands-on training session for the 'Exciting' computer code (no parallel sessions).
Notes: MCC is offering travel support for this event.

Monday-Friday, May 16-20, 2005 Fifth IMACS Seminar on Monte Carlo Methods

Organization: Florida State University
Location: Tallahassee
Presenter(s): ;Presenter(s): Plenary Speakers

Financial Applications: Ashvin Chhabra, Merrill Lynch, USARandom Number Generation: Pierre L’Ecuyer, Universite de Montreal,CanadaBiological and Medical Applications: Alex Bielajew, University of Michigan, USANuclear Engineering Applications: Forrest Brown, Los Alamos National Laboratory, USAStatistical Physics Applications: David Landau, University of Georgia, USAMonte Carlo in Education: Robert Panoff, Shodor Education Foundation, USAStatistical Applications: Jun Liu, Harvard University, USAApplied Mathematics and Monte Carlo: Alexandre Chorin, University of California at Berkeley, USAMonte Carlo in Radiation Transport: Eugene Brooks, Lawrence Livermore National Laboratory, USA
Contact: mcm2005@fsu.edu
Abstracts due: Tuesday, February 15, 2005
Description: The themes for the MCM2005 Conference include:

Monte Carlo theory Pseudorandom number generation Quasirandom number generation Quasi-Monte Carlo theory Information-based complexity Computational aspects of Monte Carlo Applications of Monte Carlo and Quasi-Monte Carlo - Finance - Statistical Physics o Numerical Analysis - Semiconductor Physics - Computer Graphics- Biology - Chemistry - Ecology and the Environment

Selected papers presented in Tallahassee will be published in a specialedition of the refereed IMACS Journal "Mathematics and Computers in Simulation",which is a leading outlet for work in Monte Carlo methods.

Monday-Thursday, May 16-19, 2005 Understanding Complex Systems*

Organization: Department of Physics, UIUC
Location: 141 Loomis Lab (Green Street & Goodwin Ave), Urbana, Illinois
Contact: Kirstin Phelp, kphelps at uiuc.edu, (217) 433-3744
Registration cost: 190.00
Description: The symposium Understanding Complex Systems is designed to bring together researchers from many academic disciplines and industry and stimulate cross-disciplinary research activities. A small group of distinguished invited speakers will introduce key complex systems concepts in the context of their discipline. These invited plenary talks are on a 'Scientific American' level. Three hands-on tutorials are in parallel with technical sessions, covering the most recent research findings. The organizers will provide information about funding opportunities for complex systems research and promote linkages for interdisciplinary proposals. Opening Keynote Talk: Paul Lauterbur, Nobel Prize in Physiology or Medicine, Chemistry, UIUC Session Keynote Talks: Eshel Ben-Jacob, Pro-President of the Israel Physical Society, Tel Aviv University, Israel; Bruce Wheeler, Interim Head of Bioengineering Dept., UIUC; Duane Johnson, Director of the Materials Computation Center, UIUC; Bruce R. Schatz, Director of the Community Architectures for Network Information Systems (CANIS) Laboratory, UIUC; Bill Greenough, Beckman Institute, Director of the Center for Advanced Studies, UIUC; Jonathan Sweedler, Director of the Biotechnology Center, UIUC

Sunday-Tuesday, May 15-17, 2005 93rd STATISTICAL MECHANICS CONFERENCE

Organization: Rutgers University
Location: Piscataway
Presenter(s): ;Presenter(s): The list of tentative speakers includes:

L. Abbott, M. Aizenman, M. Alber, F. Alexander, N. Berker, R. Car, D. Ceperley,A. Chakraborty, L. Chayes, Ph. Choquard, E. G. D. Cohen, P. Coleman,R. de la Llave, J. R. Dorfman, D. Frenkel, J.-P. Hansen,S. Goldstein, K. Gubbins, H. Herrmann, B. Jancovici, K. Kadau,M. Kalos, T. Kennedy, T. Ladd, E. Lieb, M. Mareschal, A. Middleton, P. Nielaba,M. Parrinello, M. Scully, R. Seiringer, Y. Sinai, G. Stell, E. vandenEijnden, W. W. Webb, B. Widom, N. S. Wingreen, and R. K. P. Zia.
Notes: At this meeting we will celebrate the eightieth birthday ofour distinguished colleague BERNI ALDER.

Sunday-Tuesday, May 8-10, 2005 3rd Meeting on Society of Nano Science and Technology

Location: Sendai, Japan
Contact: Dr. Hiroshi Mizuseki, Tohoku University
Description: Society of Nano Science and Technology is organized so that researchers and technicians who work at the frontier of science and technology of next generation be brought together to further the recognition of importance of nano science and technology in future and form an organic cooperative relationship among multiple research fields such as basic science, advanced electronics, life science, precision mechanical engineering, and so on.

Thursday-Friday, May 5-6, 2005 2005 Nanotechnology Workshop

Organization: MANTL, UI
Location: Beckman Institute for Advanced Technology, Urbana
Presenter(s): ;Presenter(s): Robert Leheny, Deputy Director DARPA has agreed to be the keynote speaker. We have also confirmations from speakers from DuPont, Intel; while others being considered include Motorola, IBM, HP, Applied Materials, Agilent, 3M, etc.
Description: The University of Illinois Center for Nanoscale Science and Technology (CNST) is engaged in promoting fundamental research and education at the nanoscale level through a unique collaboratory with joint initiatives with the industry. With prompting from Intel and other companies, this year’s workshop will particularly showcase work being conducted at/or in association with the Micro and Nanotechnology Laboratory (MANTL).

The 2005 workshop will provide forum for industry interactions and collaborations. The workshop will bring together campus community (faculty, graduate and undergraduates, administration) and industry. There will be technical sessions, poster sessions, reception, and a panel will discuss the roadmap to future direction of research and development.
Notes: Graduate students are invited to present posters.

Monday-Wednesday, April 25-27, 2005 Workshop on Novel Electronic Materials

Organization: University of Kentucky
Description: Focus:
New Materials and Structures
Novel Quantum Phenomena
Orbital Physics
Magnetism, Magnetoresistance and Superconductivity
Quantum Criticality
Density Waves
Mott Transitions
Organizing Committee:
Joseph W Brill, University of Kentucky
Gang Cao, University of Kentucky
S Lance Cooper, University of Illinois at Urbana-Champaign
Elbio Dagotto, Oak Ridge National Lab & Univ of Tennessee
David Mandrus, Oak Ridge National Lab

Thursday-Friday, April 14-15, 2005 Fourth Annual Bioinformatics Symposium

Location: Minneapolis, St. Paul
Description: The Symposium supports the field of bioinformatics and its University of Minnesota Graduate Program. The tutorials, world renowned speakers, poster session, exhibits, demonstrations and a lunch are hosted by the Bioinformatics Graduate Faculty. All events are free, but do require pre-registration.

Monday-Wednesday, April 4-6, 2005 Biomembrane Organization and Protein Function - From Computation to Experiment

Location: Lyon, France
Contact: G. Besold, O.G. Mouritsen
Notes: MCC is offering travel support for this event.

Monday-Friday, March 21-25, 2005 APS March Meeting 2005

Location: Los Angeles

Sunday-Friday, March 20-25, 2005 11th International Conference on Fracture (ICF11)

Location: Turin, Italy
Presenter(s): ;Presenter(s): Opening Honour Lectures include Prof. Benoit B. Mandelbrot, "Fractal Analysis and Synthesis of Fracture Surface Roughness and Related Forms of Complexity and Disorder"; Prof. Grigory I. Barenblatt, "Scaling Phenomena in Fatigue and Fracture"
Contact: Alberto Carpinteri, icf11@katamail.com
Description: ICF11 has been organized under the High Patronage of the President of the Republic of Italy, under the auspices of the Ministry of Infrastructures and Transportation of the Italian Government, and of theNational Science Foundation of Italy (CNR), with the scientific support and sponsorship of worldwide leading Institutions in the fields of Fracture, Fatigue, Material Strength and Structural Integrity, like the International Congress on Fracture itself (ICF), the European Structura Integrity Society (ESIS), the American Society for Testing and Materials (ASTM).

Friday-Sunday, March 11-13, 2005 ORBITAL FUNCTIONALS FOR EXCHANGE AND CORRELATION: THE OPTIMIZED EFFECTIVE POTENTIAL AND RELATED METHODS

Location: House Christopherus, Berlin, Germany
Contact: S. Kurth, E.K.U. Gross (Freie Universitaet Berlin), H. Ebert (Ludwig-Maximilians-Universitaet Muenchen), oep-workshop at physik.fu-berlin.de
Abstracts due: Monday, January 31, 2005
Register before: Monday, January 31, 2005
Description: During the last decade the Optimized Effective Potential Method (OPM) evolved into a very attractive and powerful technique in electronic structure calculations of molecules and solids. Based on Density Functional Theory, but going beyond the Local Density Appoximation, it allows to consistently take into account exact exchange as well as controllable approximations for electron-electron correlations. The aim of the workshop is to bring together researchers developing and applying the OPM and related approaches, such as the GW approximation, SIC and LDA+U methods, to share recent developments. The workshop will deal, in particular, with various approximations for electron-electron correlations, relativistic extensions of the method as well as applications to a wide class of materials including metals and magnetic solids. The price for accomodation and meals (full board) is 185,- Euros for the whole period and has to be paid directly to the hotel by each participant. There is no additional conference fee. Limited financial support is available upon request.

Wednesday, February 16, 2005 2005 Joint Annual Conference of the National Society of Black Physicists and the National Society of Hispanic Physicists

Location: Orlando
Contact: conference.info@nsbp.org
Abstracts due: Tuesday, February 15, 2005
Description: This conference is world’s largest gathering of African American and Hispanic American physicists and physics students; and there is still time for you, your colleagues, and your students to participate.

With over 300 student attendees as well as over 200 postdoctoral, faculty and industrial researchers, the joint NSBP/NSHP conference is an excellent marketplace to recruit for REU participants, graduate students, potential postdoctoral research associates, faculty candidates, and collaborators.

Sunday-Wednesday, February 6-9, 2005 2005 Workshop on Fundamental Physics of Ferroelectrics

Location: WILLIAMSBURG, VIRGINIA
Contact: Thomas Shrout, tshrout at psu.edu, 1-(814) 865-1645
Abstracts due: Tuesday, December 0, 2004
Description: This workshop continues a series of experimental and/or theoretical meetings on fundamental issues in the physics of ferroelectrics, held each February since 1990. The 2005 workshop will cover experimental and theoretical issues in synthesizing, measuring, understanding, and predicting the behavior of ferroelectrics and related materials. Topics of particular interest will include piezoelectricity; phase transitions and phase diagrams of multicomponent systems; surfaces, thin films, nanostructures and superlattices; and measurement and calculation of optical, electrical and magnetic properties.

Saturday-Sunday, October 30-31, 2004 51st Midwest Solid State Conference

Organization: Purdue University
Location: West Lafayette, IN, 8:30 am
Contact: Linda L. Paquay, Conference Secretary, llp at physics.purdue.edu, (765) 494-3005

Monday-Wednesday, October 25-27, 2004 Workshop on Opportunities in Materials Theory

Organization: National Science Foundation
Location: Arlington, VA
Contact: Daryl Hess (NSF), Bruce Taggart (NSF), and Amy Liu (Georgetown University), womt at physics.georgetown.edu
Description: The fourth biannual workshop on new areas of opportunity in materials theory will be held on October 25-27, 2004 at the National Science Foundation in Arlington, VA. This workshop will feature talks that span much of the materials theory community. Post-doctoral associates and junior faculty working in materials theory are especially encouraged to participate. A limited number of travel assistance grants are available for this group. Other interested researchers, departmental and university representatives, and program directors from NSF and other funding agencies are also encouraged to attend.

Thursday-Saturday, October 7-9, 2004 Computation Chemical Dynamics from Gas-Phase to Condensed-Phase Symposium

Organization: University of Minnesota Supercomputing Institute
Location: McNamara Alumni Center, Minneapolis, Minnesota
Contact: Michael J. Olesen, dynamics at msi.umn.edu, (612) 625-6414
Description: This conference is being held in honor of Prof. Donald G. Truhlar.

Monday-Saturday, September 27 - October 2, 2004 28th Condensed Matter Theory Workshop

Location: St. Louis, Missouri
Contact: Coordinator, cmt28@wuphys.wustl.edu
Register before: Friday, April 9, 2004

Sunday-Thursday, September 19-23, 2004 NANOEXC2004 Workshop on Theory and Modeling of Electronic Excitations in Nanoscience

Location: Hotel Villa del Mare, Acquafredda di Maratea, Italy
Contact: Pablo Garcia-Gonzalez, Maurizia Palummo, Olivia Pulci, Arno Schindlmayr, Nathalie Vast, nanoexc2004@roma2.infn.it
Register before: Friday, June 25, 2004
Description: This three-day conference is devoted to the theory and modeling of electronic excitations in nanostructured materials, in order to assess the latest achievements and the perspectives for first-principles theoretical methods in this field. The workshop will offer the opportunity to discuss open questions, to compare the drawbacks and advantages of different approaches, and to present pioneering applications to real materials of current experimental interest. In particular, we plan to give emphasis to recent successful simulations in the field of nanoscience (nanotubes, quantum dots/wells, superlattices, surfaces, molecular electronics, bio-electronics and interdisciplinary fields like medical applications) as well as to theoretical advances related, for instance, to the efficient and accurate solution of the Bethe-Salpeter equation for optical spectra.

Saturday-Thursday, September 18-23, 2004 XIVWORKSHOP ON COMPUTATIONAL MATERIALS SCIENCE

Location: Calaserena Village, Geremeas (CA), Sardinia, Italy
Presenter(s): ;Presenter(s): Invited speakers include A. Filippetti (Cagliari, Italy), R. Gebauer (Trieste, Italy), E.K.U. Gross (Berlin, Germany), G. Lulli (Bologna, Italy), A. Magistrato (Trieste, Italy), P. Milani (Milano, Italy), R. Podloucky (Wien, Austria), S. Sanvito (Dublin, Ireland) G. Schmidt (Jena, Germany) F. Seno (Padova, Italy) A. Selloni (Princeton, USA)
Contact: Workshop Chair, workshop@dsf.unica.it
Register before: Tuesday, June 1, 2004
Description: An international workshop on computational techniques and applications to materials science.with the sponsorship of European Science Foundation Programme "Toward Atomistic Materials Design" and Democritos Modeling Center for Research in Atomistic Simulation, under the patronage of UNESCO.

Thursday-Friday, September 9, 2004 - September 11, 2009 Local correlation methods: From molecules to crystals

Location: Torino, Italy
Description: To analyze the present stage of CRYSCOR, to discuss computational strategies, to suggest new developments, to propose applications and to promote new collaborations in this area of research,the Torino group is organizing a 3-day workshop with the participation, on invitation, of some eminent scientists.

Sunday-Friday, September 5-10, 2004 Joint European Magnetic Symposia

Location: Dresden, Germany
Contact: Dr. Manuel Richter, m.richter at ifw-dresden.de, +49-351-4659-360
Description: Includes a symposium on Electronic Structure of Magnetic Materials
Notes: Late abstract submission (through March 7, 2004): http://www.ifw-dresden.de/imw/jems04/late

Saturday-Sunday, August 28 - September 12, 2004 Third Psi-k/NANOQUANTA School and Workshop on Time-Dependent Density-Functional Theory

Organization: Psi-k
Location: Benasque Center for Science, Benasque, Spain
Notes: MCC is offering travel support for this event.

Thursday-Tuesday, August 26-31, 2004 Symposium on Crystallography of Planetary Interiors

Location: Budapest, Hungary
Contact: Artem R. Oganov and Leonid S. Dubrovinsky, a.oganov at mat.ethz.ch, +41-1-632-3752
Abstracts due: Monday, March 1, 2004
Register before: Saturday, May 1, 2004
Description: Covers theoretical and experimental aspects of the structure, properties, and stability of planet-forming materials (from alloys and silicates of the Earth to molecular fluids of the giant planets) at extreme conditions, focussing on the latest advances in this field.

Monday-Friday, August 23-27, 2004 12th INTERNATIONAL CONFERENCE ON RECENT PROGRESS IN MANY-BODY THEORIES

Location: Santa Fe, New Mexico
Presenter(s): ;Presenter(s): Invited speakers include P. W. Anderson (Princeton), N. Ashcroft (Cornell), A. Bulgac (Seattle), G. Baym (Urbana), J. Cardy (Oxford), D. M. Ceperley (Urbana),J. Chalker (Oxford), S. Chandrasekharan (Duke), L. Cugliandolo (Paris), J. Engel (Chapel Hill),E. Farhi (MIT),L. I. Glazman (Minnesota),M. Greiner (JILA), K. Hallberg (Bariloche),T.-L. Ho (Ohio State),C. Honerkamp (MPI-Stuttgart), F. Iachello (Yale),L. Ioffe (Rutgers), E. Krotscheck (Graz),R. B. Laughlin (Stanford),E. Manousakis (FSU), A. A. Middleton (Syracuse), A. J. Millis (Columbia), J. W. Negele (MIT),M. A. Nielsen (Queensland), H. Nishimori (Tokyo), J. Preskill (CalTech), S. Reddy (LANL), G. Shlyapnikov (FOM-Amsterdam),T. Senthil (MIT),B. S. Shastry (UCSC), S. L. Sondhi (Princeton), X.-G. Wen (MIT),R. Zecchina (ICTP-Trieste)
Contact: Gerardo Ortiz, ortiz at viking.lanl.gov
Description: This series was initiated in Trieste (Italy) in 1979. It covers a broad spectrum of current research in physics that benefits from the application of many-body theories.

Sunday-Thursday, August 22-26, 2004 XIII International Material Research Congress

Location: Cancun, Mexico
Contact: Vanessa Mora Grajales, lugo.ventura@cuv.buap.mx, (01222) 2114393/ 2114394
Description: These meetings have been organized annually and will provide an interactive forum for discussing the advances in corrosion, advances in electron microscopy, synthesis, characterization, properties and processing, basic research trends, and education in the area of materials science.

Monday-Friday, August 16-20, 2004 13th International Conference on the Discrete Simulation of Fluid Dynamics

Location: Marriott Hotel, Kendall Square, Cambridge, Massachusetts
Description: Topics covered at the DSFD series of meetings include, inter alia, lattice-gas and lattice-Boltzmann models of hydrodynamics, dissipative particle dynamics, smoothed-particle hydrodynamics, direct simulation Monte Carlo, stochastic rotation dynamics, molecular dynamics, and hybrid methods. There will be sessions on advances in both theory and computation, on engineering applications of discrete fluid algorithms, and on fundamental issues in statistical mechanics, kinetic theory, and hydrodynamics. Hosted by Tufts University.

Monday-Friday, August 9-13, 2004 14th international Conference on Crystal Growth

Location: Grenoble, France
Contact: Prof. Thierry Duffar, thierry.duffar@inpg.fr, +33 4 76 8252 13
Abstracts due: Thursday, January 15, 2004
Description: Two topical sessions will be devoted to Nanosciences:
- self-assembled nanostructures for quantum dots
- nanomaterials and cluster assembly

Monday-Sunday, August 9-22, 2004 Third Windsor School on Condensed Matter Theory: Field Theory of Quantum Coherence, Correlations and Mesoscopics

Location: Windsor, UK
Applications due: Saturday, May 1, 2004
Description: This Summer School will present a comprehensive course in field-theoretical applications to correlation effects in disordered and mesoscopic systems and degenerate ultra-cold atomic gases. The course will provide an introduction into these topics and an overview of standard and recently emerged non-perturbative techniques used in studies of interaction effects in low-dimensional systems, nanostructures, and also pattern formation in statistics problems. Lectures in theoretical methods will be complemented by reviews of advanced experiments on mesoscopic electron systems and BEC, and focused research seminars.

Monday-Friday, July 26-30, 2004 27th International Conference on the Physics of Semiconductors

Location: Flagstaff, Arizona
Contact: Jessica Fitchett, jessica.fitchett@nau.edu
Abstracts due: Friday, February 27, 2004

Monday-Friday, July 5-30, 2004 2004 Boulder Summer School: Coherence and Interactions in Atomic and Condensed Matter Physics

Location: Boulder, Colorado
Contact: Steven M. Girvin, steven.girvin@yale.edu

Wednesday-Friday, June 23-25, 2004 CECAM Workshop on Novel Approaches to Efficient Simulation of Soft Matter Systems

Organization: Ecole Normale Suprieure de Lyon
Location: Lyon, FRANCE
Contact: Erik Luijten, Nigel B. Wilding, luijten at uiuc.edu, N.B.Wilding at bath.ac.uk
Description: The purpose of this CECAM workshop is to highlight and discuss recent advances in simulation methodologies for dealing with the disparate scales of length and time which characterise the physics of soft matter systems such as polymers and colloids. The topics to be addressed range from optimising brute-force fully atomistic MD simulations of complex molecules, through novel biased MC sampling schemes for exploring free energy landscapes, to mesoscopic (coarse-grained) simulation approaches capable of exposing long time hydrodynamic phenomena. The workshop will assemble scientist from diverse regions of the soft matter simulation community for the purpose of forging new intellectual links and facilitating cross fertilisation of ideas. This should engender fruitful new synergies and (ultimately) bring us closer to the goal of realising efficient global simulation approaches which marry (in a self consistent fashion) methods which currently focus only on single regimes of length or time.

Friday-Monday, June 18-21, 2004 ELECTRONIC STRUCTURE SIMULATIONS OF NANOSTRUCTURES (ESSN-2004):TOWARDS AN UNDERSTANDING OF PHYSICAL, CHEMICAL AND BIOLOGICAL PROCESSES

Organization: University of Jyvaskyla
Location: Finland
Presenter(s): ;Presenter(s): Speakers include: W. Andreoni, T. Bernhardt, J. Eloranta, T. Frauenheim,R. Gebauer, B. Hammer, U. Heiz, O. Ikkala, U. Landman, M. Moseler, A. Nakajima, G. Pacchioni, J.-Y. Raty, K. Reuter, A. Rubio, G. Scoles, A. Selloni, M. Di Ventra, R. Wolkow, L. Woeste
Contact: Workshop Organizer, essn2004@phys.jyu.fi
Register before: Wednesday, March 31, 2004
Description: The scope of this workshop is to explore the current status of the research in the broad area of electronic structure simulations of nanoclusters, nanoparticles and nanostructures in various fields of physics, chemistry and biology. A number of experimental talksare added in the program to promote exchange of ideas and interdisciplinary collaborative efforts between simulations and experiments. The program will consists of invited lectures, short "hot topic" oral presentations (selected from contributed abstracts), poster sessions, and tutorial sessions on modern electronic structure theory, which areincluded for the benefit of the attending students and young researchers. This workshop is partially supported by the Psi-K network.

Friday-Tuesday, June 18-22, 2004 Hands-on-FPLO

Organization: University of California-Davis
Contact: Dr. Manuel Richter, m.richter@ifw-dresden.de, +49-351-4659-360
Register before: Friday, April 30, 2004
Description: FPLO is a highly accurate full potential minimum basis package that solves the Kohn-Sham equations for regular lattices. It comprises scalar relativistic and 4-component relativistic approaches, LSDA and LSDA+U as well as a CPA solver. The workshop is aimed at the exposition of the method, introduction into the algorithms, handling of the package, exchange of experience amongst the users, and introduction to the range of applications. Two previous workshops were held at IFW Dresden, Germany, in 2002 and 2003.

Thursday-Saturday, June 17-19, 2004 NSF Division of Materials Research ITR Computational Workshop*

Organization: MCC
Location: Urbana, IL
Contact: Ramona Simpson, rlsimpso@uiuc.edu, 217-333-1370
Abstracts due: Thursday, June 10, 2004
Description: An open review of major computational research investments managed in the Division of Materials Research (DMR). Also scheduled is a discussion of the emerging cyberinfrastucture (CI) needs of the computational materials theory community and future opportunities.

Monday-Friday, June 14-18, 2004 SWEDISH SUMMER SCHOOL ON MAGNETISM AND TRANSPORT IN SOLIDS

Organization: Uppsala University
Location: Uppsala University, Sweden Angstrom Laboratory, Sweden
Presenter(s): ;Presenter(s): Tentative list of invited speakers:, P. J. Kelly, University of Twente, The Netherlands, P. Weinberger, Center for Computational Materials Science, Vienna, Austria, K. Baberschke, Freie Universitt, Berlin, Germany, I. Mertig, Martin-Luther-Universitt, Halle, Germany, J. A. C. Bland, Cavendish Laboratory, University of Cambridge, England, T. Dietl, Institute of Physics, Polish Academy of Sciences, Warszawa, Poland, J. M. D. Coey, SFI Laboratory, Trinity College, Dublin, Ireland, O. Heinonen, Seagate Technology, USA, P. H. Dederichs, Institut fr Festkrperforschung, Jlich, Germany, J. Kudronovsky, Institute of Physics,Academy of Sciences,Praha, Czech, Republik, J. Kirshner, Max-Planck-Institut fr Mikrostrukturphysik, Halle, Germany, N. Garcia, Laboratorio de Fisica de Sistemas Pequenos y Nanotechnologia, Madrid, Spain, S. A. Wolf, DARPA/DSO, VA, USA, D. Awschalom, University of California, Santa Barbara, CA, USA, G. Mathon, Department of Mathematics, City University, London, U.K., D. Loss, University of Basel, Switzerland, H. Zabel, Ruhr-Universitt Bochum, Germany, S. Bluegel, Institut fr Festkrperforschung, Jlich, Germany, H. Ebert, Ludwig-Maximilians-Universitt Mnchen, Germany, N. Marzari, MIT, USA, A. Fert, CNRS-Thales, France, B. Barbara, CNRS, France, C. Binns, University of Leicester, UK, P. Ravindran, University of Oslo, Norway
Contact: Biplab Sanyal, Biplab.Sanyal at fysik.uu.se
Description: A summer school on the theoretical and experimental aspects of magnetism and transport in solids will be held during 14th-18th June 2004 at the Angstrom Laboratory, Uppsala University, Sweden. Leading experts in this researchf ield will be invited to present their overviews on current research topics.This summer school is intended mainly for PhD students, postdocs and young researchers and is expected to have 60 participants in total.

Monday-Friday, June 7-18, 2004 2004 MCC Summer School on Computational Materials Science: Introduction to Computational Nanotechnology*

Contact: Umberto Ravaioli, ravaioli@uiuc.edu
Description: This short course will explore a range of computational approaches relevant for nanotechnology. Topics will include:Density functional theory, applied to the study of electronic properties of nanostructures, Non-equilibrium Green's functions for transport application, Carbon nanotubes and molecular electronics, NEMS (nano-elecrical-mechanical systems), ionic transport in biological and biomimetic structures, and numerical methods.

Saturday-Thursday, June 5-10, 2004 Summer School on Time-dependent Density-Functional Theory (TDDFT)*

Wednesday-Saturday, June 2-5, 2004 Joint CECAM-Psi_k Network Workshop: The Nature of Hydrogen Bonding and Density Functional Theory

Contact: Joel Ireta, Martin Fuchs and Matthias Scheffler, ireta at fhi-berlin.mpg.de, +49 30 84-13-4818
Description: The aim of this joint CECAM-Psi_k Network workshop is to bring together the key theoreticians who have analyzed the nature of hydrogen bonding and the quality of xc-functionals for describing them. The main objective is to discuss the accuracy of different exchange correlation functionals for predicting interactions in hydrogen bonded systems.

Sunday-Friday, May 30 - June 4, 2004 Computational Modeling and Simulation of Materials

Location: Sicily, Italy
Contact: Dr. Pietro Vincenzini, Conference Chairman, +0546 22461
Description: The Conference features more than 450 scientific presentations coveringemerging advances of modeling and simulation of materials, from fundamental issues throughout applications in devices and industrial problems.

Tuesday, May 18, 2004 NSF Workshop on Theory in Biological Physics

Location: Tempe, Arizona
Contact: G. Bruce Taggart, NSF
Description: The NSF is supporting a Workshop on the Role of Theory in Biological Physics and Materials in Tempe, AZ, in May 2004. The purpose of the workshop is to produce a report and, in order to facilitate this, the limited attendance at the workshop is by invitation only. However, the organizers do wish to obtain widespread input to the workshop and report. As a consequence, discussion boards have been set up on the workshop website [http://biophysics.asu.edu/workshop/]. Those with expertise and interests in this topic are encouraged to contribute through the discussion boards. The resulting report will be posted on this website.

Monday-Thursday, May 10-13, 2004 Quantum Dot 2004

Location: Banff, Alberta, Canada
Contact: Pawel Hawrylak, QD2004@nrc.ca
Abstracts due: Saturday, January 10, 2004

Tuesday-Thursday, April 13-15, 2004 EXCAAR

Organization: University of Aarhus
Location: Conference Center Building 420, Aarhus, Denmak
Contact: Niels E. Christensen, nec@phys.au.dk, (+45) 8942 1111
Register before: Monday, March 15, 2004
Description: "EXCITING" is a European Research and Training Network aiming at developing ab-initio tools to describe optical properties of matter.
Notes: Contact S. Toldi, toldi@phys.au.dk for hotel reservations.

Monday-Tuesday, March 29-30, 2004 NSF Worskhop on Control and System Integration of Micro- and Nano-Scale Systems

Contact: Susan Warren, meeting@accmail.umd.edu

Sunday-Monday, March 7-8, 2004 Austin Symposium on Molecular Structure

Contact: James E. Boggs, james.boggs@mail.utexas.edu
Abstracts due: Friday, January 2, 2004

Friday-Sunday, February 13-15, 2004 KKR-workshop: new developments, applications and collaborations*

Sunday-Wednesday, February 8-11, 2004 Fundamental Physics of Ferroelectrics

Contact: Peter M. Gehring, peter.gehring@nist.gov
Abstracts due: Monday, January 5, 2004
Notes: Woodlands Conference Center (1-800-822-9127)

Friday, February 6, 2004 MCC Adboard meeting*

Monday-Wednesday, February 2-4, 2004 WORKSHOP ON AB INITIO PHONON CALCULATIONS

Location

Cracow, Poland

Contact

Prof. dr hab. Krzysztof Parlinski, b8parlin at cyf-kr.edu.pl, (+48)-(12)-662-8209, 8408

Description

This workshop is organized by the Institute of Nuclear Physics, PAN and Pedagogical University in Cracow under support of the European Science Fundation Programme PSI-k.

This workshop is aimed at anyone who wants to learn how phonon calculations within the density functional theory approach can be done for solids.

Tuesday, January 20, 2004 Turbulence andShear Flow Phenomena - 2005

Location: Williamsburg Marriott Hotel, Williamsburg, Virginia, USA

Monday, January 19, 2004 Eleventh InternationalCongress on Sound and Vibration

Location: Hotel Pribaltiyskaya, St. Petersburg, Russia
Contact: Prof. Nickolay I. Ivanov, Congress Secretariat, icsv11@rol.ru
Abstracts due: Wednesday, December 31, 2003

Sunday, January 18, 2004 International Congress on Mechatronics (MECH2K4)

Contact: mech2k4@fsik.cvut.cz, +(43)732-2457-2227
Abstracts due: Monday, March 15, 2004

Monday, January 12, 2004 The XIVth International Congress on Rheology

Location: Seoul, Korea
Contact: The Korean Society of Rheology, icr2004@icr2004.or.kr, 82 2 3452 5118
Abstracts due: Tuesday, September 30, 2003

Monday-Wednesday, July 21-30, 2003 "Hands-on" Workshop Application of density-functional theory in condensed matter physics, surface physics, chemistry, engineering and biology*

Location: Berlin

Wednesday-Tuesday, June 18 - August 12, 2003 MRI Summer Institute '03, Lawrence Livermore National Laboratory*

Sunday, June 15, 2003 2003 Summer School on Computational Materials Science: Theoretical and Computational Biology*

Saturday-Monday, May 17-19, 2003 ES2003, Fifteenth Annual Workshop on Recent Developments in Electronic Structure Methods

Location: Minneapolis, Minnesota

Monday-Friday, April 21-25, 2003 2003 MRS Spring Meeting

Location: San Francisco, California

Monday-Friday, March 3-7, 2003 APS March Meeting 2003

Location: Austin, Texas

Sunday-Thursday, February 23-27, 2003 2003 International Conference on Computational Nanoscience and Nanotechnology (ICCN)

Location: San Francisco, California

Sunday-Thursday, February 23-27, 2003 Sixth International Conference on Modeling and Simulation of Microsystems

Location: San Francisco, California

Monday, July 22, 2002 WIEN2002: Hands on Workshop on the WIEN2k package

Location: University Park, Pennsylvania

Thursday-Saturday, June 6-8, 2002 ES2002-Fourteenth Annual Workshop on Recent Developments in Electronic Structure Methods

Organization: UC Berkeley
Location: Berkeley, California

Monday-Wednesday, May 13-15, 2002 Symposium on understanding complex systems, Complexity in physical and biological structures, medicine and ecology*

Location: Urbana, Illinois

Monday-Thursday, April 22-25, 2002 2002 Applied Computational Research Society Joint Meeting: Computational Micro and Nano Technology: Modeling & Simulation of Microsystems (MSM 2002) and International Conference on Computational Nano Science (ICCN 2002)

Location: San Juan Marriott Resort, San Juan, Puerto Rico

Sunday-Thursday, April 7-11, 2002 The Condensed Matter and Material Physics Conference of the IoP and the 19th Conference of Condensed Matter Division of the EPS

Location: Brighton, UK

Monday-Thursday, April 1-4, 2002 IPAM - Linear Scaling Electronic-Structure Methods

Organization: UCLA
Location: Los Angeles

News & Events

Jobs

Past Events

Lectures and Talks

Wednesday, February 6, 2008 Quantum coherence and energy transfer: Quantum dot arrays and photosynthetic complexes*

Thursday, October 18, 2007 Nanoscience and Computer Science in Costa Rica: the National Initiative, Projects and Possible Collaborations*

Thursday, September 27, 2007 Atomistic theory of the electronic and optical properties of self-assembled quantum dots*

Thursday, January 25, 2007 Google’s PageRank and Beyond: The Science of Search Engine Rankings*

Thursday, January 25, 2007 Algorithms behind search engines*

Friday, December 8, 2006 Multiscale modeling of Defect Mechanisms in Materials for Nuclear Energy Applications*

Friday, November 3, 2006 High Pressure Physics of Correlated Materials: Experiment and Theory at LLNL and UCD on Gd and MnO*

Wednesday, November 1, 2006 Treating Manybody Polarization and Manybody Dispersion in Complex Systems: The Quantum Drude Oscillator Formalism*

Friday, September 15, 2006 Simulation of unconventional electronic phases by Quantum Monte Carlo*

Wednesday, September 6, 2006 Determination of intrinsicswitching field distributions inperpendicular recording media*

Thursday, March 9, 2006 The role of first principles calculations in multiscale simulations of iron under irradiation*

Thursday, December 15, 2005 Statistical Physics of Fracture*

Monday, December 12, 2005 Kinetics and thermodynamics of hydrides for reversible hydrogen storage*

Wednesday, November 9, 2005 Numerical methods (and some analysis) for material science applications*

Monday, October 24, 2005 Excited states in semiconductors and insulators: ab inito quasiparticle bandstructures of II-VI compounds, group-III-nitrides and high-k dielectrics*

Tuesday, August 30, 2005 Current technical issues for vertical quantum dot devices

Thursday, April 21, 2005 Modeling in the Middle: Design of Competent and Efficient EvolutionaryAlgorithm

Monday, April 4, 2005 Towards materials specific simulations of high temperature superconductors*

Monday-Friday, February 14-25, 2005 36th Spring School 2005: Magnetism goes Nano (Electron Correlation, Spin Transport, Molecular Magnetism)

Monday, December 6, 2004 Dielectric Properties of Semiconductors by TDDFT*

Thursday, December 2, 2004 Finite-Element Method for Large-Scale Ab Initio Electronic-Structure Calculations -- Informal Discussion*

Wednesday, December 1, 2004 Finite-Element Method for Large-Scale Ab Initio Electronic-Structure Calculations*

Wednesday, September 15, 2004 Formulation of the Anisotropic Coarsening Theory (ACT) and applications to the liquid phase sintering of silicon nitride*

Thursday, August 19, 2004 Coupled Electron-Ion Monte Carlo Method and Application to Metallic Hydrogen*

Thursday, August 12, 2004 Electronic structure by Slater determinant random walks*

Monday, April 12, 2004 Critical dynamics in a funnel-shaped landscape: a Landau-type theory of the glass transition*

Thursday, February 12, 2004 Fast Eigenvalue/Eigenvector Computation for Dense Symmetric Matrices

Tuesday, February 10, 2004 Modeling Elastic and Plastic Deformations in Materials Physics

Monday, February 9, 2004 Control of Exchange Interaction in a Double Dot System*

Friday, January 16, 2004 An informal discussion: What is nano?*

Monday, December 8, 2003 Structural Topology Optimization and Applications*

Monday, November 10, 2003 Critical thickness for ferroelectricity in barium titanate ultrathin films*

Friday, November 7, 2003 Computational challenges and solution algorithms in electronic structure calculations*

Friday, November 7, 2003 Atoms on the Move: Simulating the Properties of Semiconductor Liquids*

Wednesday, October 29, 2003 Electronic transport in Nanostructures from first principles: a simulation tool*

Friday, October 24, 2003 Deriving Plasticity: Attempts at a Theory for Dislocation Patterning and Work Hardening*

Friday, September 12, 2003 Full Multiple Spawning with QM/MM Methods for Excited States: Direct Photodynamics for Large Chromophores in Proteins and Condensed Phases*

Friday, August 29, 2003 Simulating the phase behaviour of polydisperse fluids*

Wednesday, July 2, 2003 New small silicon interstitial clusters*

Wednesday, June 18, 2003 Theory of the tunneling spectroscopy in buried metallic nanoparticles*

Wednesday, May 1, 2002 Fracture patterns and kinetics in deposition of solids*

Monday, March 25, 2002 Tight-Binding for Real Materials*

Wednesday, February 27, 2002 Thermal Activation of Dislocation Motion*

Tuesday, February 26, 2002 Electronic Structure Codes and Methods Development at NERSC*

Friday, October 12, 2001 Real-space multiscale methods in DFT*

Monday, November 6, 2000 Cluster growth from a reversible model of diffusion*

Tuesday, September 5, 2000 Van der Waals interacton between atomic cluster of simple metal and metal surface*

Wednesday, August 16, 2000 Universality in two-dimensional quantum magnets*

Tuesday, August 15, 2000 Generic parallel algorithms for lattice models*

Monday, June 26, 2000 Time Dependant Density-Functional Theory and Si clusters.*

Wednesday, June 21, 2000 Time Dependent Density-Functional Theory and Si clusters.*

Tuesday, May 30, 2000 Stability of Si-interstitial complexes: from point to extended defects*

Monday, March 13, 2000 Parallel supercomputing in science and engineering*

Wednesday, February 23, 2000 Theory of composite-band Wannier states and order-N electronic-structure calculations

Wednesday, February 23, 2000 Molecule-surface Interactions by Design

MCC Visitors

Tuesday-Thursday, February 5-7, 2008 Alan Aspuru-Guzik, Harvard University*

Monday-Friday, September 24-28, 2007 Weidong Sheng, National Research Council, Ottawa, Canada*

Wednesday-Saturday, August 15 - December 15, 2007 Sashi Satpathy, University of Missouri*

Wednesday-Saturday, January 24-27, 2007 Prof. Amy Langville, College of Charleston, South Carolina, Department of Mathematics*

Wednesday-Friday, November 1-3, 2006 Dr. Nicola Spaldin, University of California, Santa Barbara, Materials Department *

Wednesday-Friday, November 1-3, 2006 Dr. Warren Pickett, University of California Davis, Department of Physics *

Tuesday-Saturday, October 31 - November 4, 2006 Dr. Glenn Martyna, IBM TJ Watson Laboratory, Yorktown Heights, New York *

Sunday-Tuesday, September 17-19, 2006 Andreas Berge, Hitachi Global Storage Technologies, San Jose, CA*

Monday-Friday, September 11-15, 2006 Sandro Sorella, SISSA/ISAS, Trieste Italy*

Saturday, August 5, 2006 Haydar Arlsan, Zonguldak Karaelmas Unviersity, Turkey*

Saturday, August 5, 2006 Bothina Hamad, University of Jordan *

Thursday, August 3, 2006 Huajun Fan, Prarie View A&M University*

Friday-Wednesday, June 2-7, 2006 Ivo Souza, UC Berkeley*

Thursday-Saturday, April 6-8, 2006 Shiwei Zhang, Department of Physics College of William and Mary*

Wednesday-Saturday, March 29 - April 8, 2006 Carlo Pierleoni, Physics Dept., University of L’Aquila, Italy*

Thursday, March 9, 2006 Francois Willaime, Service de Recherches de Metallurgie Physique. CEA/Saclay*

Monday, December 12, 2005 Roland Stumpf, Materials Physics, Sandia National Labs, Livermore, CA*

Sunday-Tuesday, October 23-25, 2005 Dr. Patrick Rinke, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany*

Monday-Tuesday, August 29-30, 2005 D.G. Austing, NRC, Ottawa, Canada *

Monday-Thursday, April 18-28, 2005 Carlo Pierleoni, Physics Dept., University of L’Aquila, Italy*

Friday, January 16, 2004 An informal discussion: *What is nano?**