To preserve the history of the Workshop on Electronic Structure Methods, the Materials Computation Center has collected and indexed available materials, both printed and electronic. An archive such as this offers a unique view of the scientific trends and people involved in this area of research over the past 20 years.
To generate these entries, we performed optical-character recognition on scanned archives, where electronic archives were unavailable. Next steps are additional proofreading, cross-linking to enable search by different fields, and completing the archive.
The archive contains each presenter's name, affiliation at the time of the workshop, title of their presentation, and hyperlinks to abstracts and talk slides (when available).
We have the materials from many workshops, but are missing a few years. You can upload files you might have at http://cms.mcc.uiuc.edu/wiki/display/mccfiles/Home.
425 records
| Name | Title and link to available abstract | Slides |
|---|---|---|
2009 | ||
| Analytis, James (Stanford University) | Fe-Based superconductors | |
| Asta, Mark (University of California, Davis) | Ab-Initio Molecular Dynamics Modeling of Molten Superalloys | Slides |
| Biermann, Silke (Ecole Polytechnique Paris) | Developments in LDA+DMFT | |
| Cococcioni, Matteo (University of Minnesota) | Extended LDA+U functional for covalent systems | Slides |
| Cox, Daniel (University of California, Davis) | Electronic structure and properties of biomaterials | Slides |
| Dai, Xi (Institute of Physics Chinese Academy of Sciences) | LDA+Gutzwiller method and its application to iron pnictides | Slides |
| Guo, Hong (McGill University) | Computational theory of non-equilibrium spin transport | |
| Johannes, Michelle (Naval Research Laboratory) | Theoretical perspective on Fe-pnictide Superconductivity | Slides |
| Katsnelson, Mikhail (Radbound University of Nijmegen) | Graphene: Corrugations, defects, scattering mechanisms, and chemical functionalization | Slides |
| Lu, Deyu (University of California, Davis) | Evaluating van der Waals energies from dielectric response functions | Slides |
| Morales, Miguel (University of Illinois at Urbana Champaign) | H+He mixtures; QBOX+QMC | |
| Ogut, Serdar (University of Illinois at Chicago) | Electronic and optical excitations in silver clusters and silicon nanoshells | Slides |
| Park, Cheol-Hwan (University of California, Berkeley) | First-principles calculation of many-body effects in graphene | Slides |
| Spataru, Catalin (Sandia National Laboratory) | Developments in GW and nonequilibrium transport theory | |
| Stengel, Massimiliano (University of California, Santa Barbara) | Electric displacement as the fundamental variable in electronic- structure calculations | Slides |
| Umari, Paolo (CNR-INFM DEMOCRITOS National Simulation Center) | GW from valence states only; DFT & MBPT | |
| Wu, Xifan (Princeton University) | Order-N method of exact exchange in extended insulating systems and its applications | |
| Yang, Weitao (Duke University) | Insights and Progress in Density Functional Theory | |
| Ylvisaker, Erik (University of California, Davis) | Valence transition and charge self-consistency in LDA+DMFT | |
2008 | ||
| Allen, J.W. (University of Michigan) | Synergistic Opportunities for ARPES and Theory of Correlated Electron Solids | |
| Ceresoli, Davide (SISSA) | Ab-initio pseudopotential theory of the orbital magnetization | Slides |
| Chan, Tzu-Liang (Institute for Computational Engineering and Sciences) | Efficient algorithms for the electronic structure of nanocrystals | Slides |
| Cohen, Morrel (Rutgers and Princeton) | Partition Theory; Further Developments | |
| Cooper, Valentino (Rutgers University) | Applications of the van der Waals density functional to DNA and metal organic framework materials | Slides |
| Hennig, Richard (Cornell University) | Quasi-two-dimensional electronic states in a dense three-dimensional Li-Be alloy | Slides |
| Kale, Laxmikant (Sanjay) (University of Illinois) | Techniques for Developing Efficient Petascale Applications | |
| Kunes, Jan (University of Augsburg) | Transition Metal Oxides: Mott Transition under Pressure | Slides |
| Lu, Deyu (University of California, Davis) | Microscopic representations of the dielectric response in ice and water | |
| Militzer, Burkhard (University of California at Berkeley) | First-Principles Simulations in Planetary Science | Slides |
| Needs, Richard (University of St Andrews) | Predicting crystal structures by random searching | Slides |
| Niu, Qian (University of Texas) | Berry phase effects on electron properties | Slides |
| Prodan, Emil (Yeshiva University) | Tunneling conductance of molecular wires | Slides |
| Reboredo, Fernando (Oak Ridge National Laboratory) | Fullerenes: a workbench for many-body theories benchmarks | Slides |
| Reining, Lucia (CNRS-Ecole Polytechnique) | Ab initio calculations of electronic response - ingredients, results and challenges | Slides |
| Sorella, Sandro (SISSA) | Recent progress with Lattice Regularized Diffusion Monte Carlo | Slides |
| Werner, Philipp (Columbia University) | Diagrammatic Monte Carlo simulation of quantum impurity models | Slides |
| Yang, Li (University of California at Berkeley) | GW-BSE Calculation of the Optical Response of Spin Polarized Materials and Nanostructures | Slides |
| Zhang, Shiwei (College of William and Mary) | A stochastic independent-electron approach for correlated systems | Slides |
2007 | ||
| Alfé, D (University College London) | Absolute rate of thermal desorption from first-principles simulation | |
| Ceder, Gerbrand | Infusing 'experience' into first principle methods: The prediction of crystal structure | |
| Cohen, R.E (Carnegie Institution) | Quantum Monte Carlo Simulations of high pressure phase transitions in SiO2 | |
| Güçlü, A.D (Duke U) | Strong localization in circular quantum dots | |
| Giustino, Feliciano (UC Berkeley) | Electron-phonon interaction in carbon-based materials: from superconducting diamond to single-layer graphene | |
| Gygi, François (UC Davis) | Large-scale electronic structure calculations on the BlueGene/L computer | |
| Harrison, Robert (U. Tennessee/ORNL) | Fast multiresolution methods with guaranteed precision | |
| Haule, Kristjan (Rutgers U) | Electronic Structure of Strongly Correlated Electron Materials: A Dynamical Mean Field Perspective | |
| Hodak, Miroslav (NC State U) | Hybrid DFT/DFT simulation method for biological systems | |
| Kühne, Thomas (ETH Zurich) | A Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics | |
| Kolorenc, Jindrich (NC State U) | Diffusion Monte Carlo study of phase stability of crystalline FeO | |
| López Ríos, P (Cambridge U) | Backflow wave functions in QMC | |
| Li, Je-Luen (Academia Sinica) | Ab initio investigation of hydrophobic interactions | |
| Lundqvist, Bemgt (Chalmers U) | Towards a Density Functional for Sparse Matter | |
| Mason, Sara (U. Pennsylvania) | First-Principles Extrapolation Procedure for Accurate Chemisorption Energies | |
| Mostofi, Arash | Electronic structure of DNA from maximally-localized Wannier functions | |
| Rehr, J.J (U. Washington) | Theory and Interpretation of Deep-core X-ray and Electron Energy Loss Spectra | |
| Rinke, Patrick (Fritz-Haber-Institut) | "Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN, InN and more. | |
| Trinkle, Dallas (U. Illinois Urbana-Champaign) | Material strength from first principles: Electronic structure and the solute/dislocation interaction | |
| Van Schilfgaarde, Mark (Arizona State U) | Quasiparticle Self-Consistent GW Theory | |
| Varga, Kalman (Vanderbilt U) | Quantum transport calculations with source and sink potentials | |
2006 | ||
| Al-Saidi, Wissam (College of William and Marry) | Auxiliary field quantum Monte Carlo with localized basis sets - Applications to atoms and molecules using a Gaussian basis | |
| Asta, Mark (University of California-Davis) | Ab-initio alloy thermodynamics | |
| Chou, Mei-Yin (Georgia Institute of Technology) | Excitonic effects and optical properties of Si nanowires | |
| Dederichs, Peter (Forschungszentrum Juelich) | Exchange interactions in dilute magnetic semiconductors | |
| Dieguez, Oswaldo (Rutgers University) | Mapping of energy versus polarization in ferroelectric materials | |
| Epstein, Art (The Ohio State University) | Conducting polymers | |
| Harmon, Bruce (Iowa State University & Ames Lab) | Introduction to the theory of magnetism in solids | |
| Heinonen, Olle (Seagate Inc) | Materials, microstructure, magnetism, and spin transport: the physics soup of recording heads | |
| Jarrell, Mark (University of Cincinnati) | Dynamical Mean Field Theory - Beyond infinite dimensions and single sites | |
| Lazzeri, Michele (Universite' Pierre et Marie Curie) | Electron transport and hot phonons in carbon nanotubes | |
| Oganov, Artem (ETH Zurich) | Crystal structure prediction with ab initio evolutionary algorithms | |
| Ramprasad, Rampi (University of Connecticut) | The local dielectric permittivity in multi-component systems: Theory and Applications | |
| Schultz, Peter (Sandia National Laboratory) | Defect levels in semiconductors: Is the "band gap problem" truly a problem? | |
| Souza, Ivo (UC Berkeley) | Wannier interpolation for calculation of anomalous Hall conductivity in ferromagnets | |
| Stengel, Massimiliano (University of California-Santa Barbara) | Origin of the dielectric dead layer in nanoscale capacitors | |
| Tiago, Murilo L (The University of Texas at Austin) | Optical and electronic excitations in nanosystems from first-principles Green's function methods | |
| Toulouse, Julien (Cornell University) | Multi-configurational density functional theory by decomposition of the electron-electron interaction into long-range and short-range contributions | |
| Umari, Paolo (SISSA) | Linear and non-linear dielectric response of periodic systems from quantum Monte Carlo | |
| Umrigar, Cyrus J (Cornell University) | Systematic elimination of fixed-node error by optimiziation of nodes of many-body wavefunction | |
2005 | ||
| Bajdich, Michal (North Carolina State University) | Pfaffian wavefunctions with pairing orbitals for QMC | |
| Baranger, Harold (Duke University) | Transport through Single Molecules: Resonant transmission, rectification, spin filtering, and tunneling magnetoresistance | |
| Baroni, Stefano (SISSA) | Time-dependent density functional perturbation theory | |
| Carter, Emily (University of Princeton) | Reduced Scaling Electronic Structure Methods for Molecules and Materials | |
| Casula, Michele (SISSA) | Lattice regularized diffusion Monte Carlo | |
| Chelikowsky, Jim (University of Texas at Austin) | Magnetic Doping of Quantum Dots | |
| Chiesa, Simone (University of Illinois) | Correcting finite size errors in QMC | |
| Cococcioni, Matteo | Nanoparticles under pressure | |
| Erwin, Steve (Naval Research Laboratory) | Tailoring ferromagnetic semiconductors | |
| Hennig, Richard (Ohio State University) | DMC calculations of high pressure phases in Si and defects in Si | |
| Ismail-Beigi, Sohrab (Yale University) | Excited State Forces from Ab Initio Green's Functions: Application to Self-trapped Excitons in Quartz | |
| Jacobsen, Karsten (Technical University) | Bayesian Error Estimation in Density Functional Theory | |
| Kent, Paul (University of Cincinnati) | Combined DFT and many-body calculations of cuprate superconductors | |
| Lu, Wenchang (North Carolina State University) | Non-equilibrium Quantum Transport in Nanoscale Devices: An Efficient O(N) Approach | |
| Martin, Richard (University of Illinois-Urbana-Champaign) | Insulators, metals, and fractionalized states - Berry's phases and the Luttinger theorem : a unification of other people's work | |
| Niu, Qian (The University of Texas at Austin) | Berry phase and the anomalous Hall effect | |
| Pettifor, David (Oxford University) | Analytic bond-order potentials for modeling the growth of semiconductor films | |
| Roundy, David (Cornell University) | Internal friction and the silicon divacancy | |
| Sai, Na (UC San Diego) | Approach to steady state and dynamical corrections to DFT-LDA conductance in nanoscale conductors | |
| Scuseria, Gustavo E (Rice University) | New density functionals applied to old problems | |
| Thonhauser, Timo (Rutgers University) | Orbital Magnetization in Periodic Systems | |
| White, Steve (UC Irvine) | Density Matrix Renormalization Group methods for quantum chemistry | |
| Yanai, Takeshi (Oak Ridge National Laboratory) | Multiresolution quantum chemistry in multiwavelet bases | |
| Zhang, Peihong (UC Berkeley) | Electron-phonon coupling, and phonon renormalization in metals | |
2004 | ||
| Cohen, Morrel H (Rutgers University) | Interpreting the Kohn-Sham Spectrum | |
| Crawford, T. Daniel (Virginia Tech) | Local Correlation in Molecular Response Properties | |
| Doltsinis, Nikos L (Ruhr-Universitaet Bochum) | Nonadiabatic Ab-initio Molecular Dynamics for High-dimensional Systems | |
| Filippi, Claudia (University of Leiden) | Ground and Excited-state QMC Energies: The Importance of Wave Function Optimization | |
| Galli, Giulia (Lawrence Livermore National Laboratory) | First Principles Simulations of Water and Simple Aqueous Solutions | |
| Goedecker, Stefan (University of Basel) | Structure Determination of Large Systems: Finding Local and Global Minima of the Potential Energy Surface | |
| Gross, Eberhard K.U (Freie Universitat Berlin) | Density Functional Theory of Superconductivity | |
| Guo, Hong (McGill University) | Modeling Charge Transport in Molecular Electronics: a Combined DFT and Non-equilibrium Green's Function Approach | |
| Hamann, Donald R (Rutgers University and Lucent Bell Laboratories) | Strain Perturbations and Other Recent Developments in the ABINIT Software Package | |
| Haynes, Peter D (University of Cambridge) | Linear-scaling Density-functional Theory with Plane Waves | |
| Johannes, Michelle D (Naval Research Laboratories) | Can Electronic Structure Calculations Explain the Complex Properties of NaxCoO2? | |
| Kirtman, Bernard (U.C. Santa Barbara) | Calculation of Nonlinear Optical Properties of Conjugated Molecules and Polymers | |
| Krakauer, Henry (College of William and Mary) | Quantum Monte Carlo Method for Real Materials: Random Walks in Slater Determinant Space | |
| Langreth, David C (Rutgers University) | Van der Waals Density Functional Theory with Applications | |
| Martin, Richard M (University of Illinois) | Brief Introduction to New Textbook and Resources under Construction | |
| Mitas, Lubos (North Carolina State University) | Coupled Quantum Monte Carlo and Ab-Initio Molecular Dynamics Simulations | |
| Nakhmanson, Serge M (North Carolina State University) | Design of New Ferroelectric Polymers through Computer Simulations | |
| Neaton, Jeffrey B (LBNL and U.C. Berkeley) | First-principles Studies of Electron Transport through Nanostructures and Molecules Using a Scattering State Approach | |
| Perdew, John P (Tulane University) | Meta-Generalized Gradient Approximation: Third Rung on the Ladder of Density Functional Approximations | |
| Savrasov, Sergej Y (New Jersey Institute of Technology) | Electronic Structure Calculations with Dynamical Mean Field Theory | |
| Spataru, Catalin (U.C. Berkeley) | Non-equilibrium Quasiparticle Spectrum of Highly Irradiated Semiconductors | |
| Tsemekhman, Kiril (University of Washington) | Self-Consistent Implementation of Self-Interaction Corrected Density Functional Theory to Confined and Extended Systems | |
| Yang, Weitao (Duke University) | Potential Functionals: Solution to the v-representability Problem and Theoretical Foundation for the Optimized Effective Potential in Density Functional Theory | |
2003 | ||
| Cancio, Antonio | The Exchange-Correlation Energy Density in Silicon: Exploring the Role of the Density Laplacian in Density Functional Theory | |
| Chou, Mei-Yin | Quantum Size Effects on the Stability and Growth of Metal Thin Films | |
| de Gironcoli, Stefano | LDA+U Calculation of Iron-Containing Minerals | |
| Grinberg, Ilya | Ab Initio Based Modeling of Complex Disordered Oxides | |
| Henkelman, Graeme | Method for Long Time Scale Simulations of Solids: Application to Metal Crystal Growth and Dopant Clustering in Silicon | |
| Jacobsen, Karsten | Evolutionary Search Approach to Materials Design | |
| Ku, Wei | Quasi-Particle Excitations in Semiconductors: All-Electron Conserving GW Scheme | |
| Kuemmel, Stephan | The Exact Kohn-Sham Exchange Potential: Iterative Construction and Counterintuitive Properties | |
| Lazzeri, Michele | First Principles Calculation of Vibrational Raman Spectra in Large Systems: Signature of Small Rings in Crystalline SiO2 | |
| Mele, Gene | Piezoelectric Effects in BN Tubes | |
| Mella, Massimo | Computing Accurate Forces in Quantum Monte Carlo Using Pulay's Corrections and Energy Minimisation | |
| Ogut, Serdar | Ab Initio Studies of Defects in Solids | |
| Saven, Jeffery | Self-consistent Theories and Monte Carlo Methods With Applications to Designing and Sampling Protein Sequences | |
| Shumway, John | Path Integral Monte Carlo Methods for Quantum Dots | |
| Tiago, Murilo | Effects of Semicore States on the Quasiparticle Energy Band Structure of Si, Ge, and GaAs | |
| Trinkle, Dallas | Atomistic Mechanisms of Martensitic Phase Transformation: Titanium HCP to Omega | |
| Uberuaga, Blas Pedro | Accelerated Dynamics Methods | |
| Umemoto, Koichiro | Amorphization and Other Pressure Induced Anomalies in H2O Ice | |
| Vanderbilt, David | Dynamics of Berry-Phase Polarization in Time-Dependent Electric Fields | |
| Wentzcovitch, Renata | Quasiharmonic thermodynamic properties of minerals | |
| Woodward, Chris | Flexible Ab Initio Boundary Conditions: Simulating Isolated Dislocations in Metals | |
2002 | ||
| Benedict, Lorin X. (Lawrence Livermore National Laboratory) | Electronic Excitations in Warm Condensed Matter | |
| Canning, Andrew (LBNL) | Large scale electronic structure calculations: algorithms and methodology developments | |
| Ceder, Gerbrand | Density Functional Theory on Lithium-Transition-Metal Oxides for Electrochemical Systems: Some interesting results and failures | |
| Chan, Che-Ting (Hong Kong University of Science and Technology) | The effect of electric field and surface charging on surface properties | |
| Chang, Kee Joo (Korea Advanced Institute of Science and Technology) | Quantized conductance in Na atomic wires and magnetic ordering in heterostructured C/BN nanotubes | |
| Choi, Hyoung Joon (UC Berkeley/LBNL) | Superconductivity of MgB2 from First Principles | |
| Cohen, Marvin L. (UC Berkeley/LBNL) | Historical and Personal View of Electronic Structure Theory | |
| Crespi, Vincent (Penn State University) | Designing new semiconductor alloys from novel CVD precursors: Direct bandgap semiconductors that lattice match silicon | |
| Gebauer, Ralph (Princeton University) | Non-equilibrium quantum dynamics approach to transport | |
| Gubernatis, James E. (Los Alamos National Laboratory) | Magnetic and Non-Magnetic Properties of the Periodic Anderson Model and its Relevance to f Electron Materials | |
| Miyamoto, Yoshiyuki (NEC Fundamental Research Lab) | TDDFT approach on ultra-fast dynamics triggered by electronic excitation | |
| Nardelli, Marco Buongiorno (North Carolina State University) | Polarization effects in nanotube structures | |
| Pickard, Chris J. (Cambridge University) | First principles theory of the EPR g-tensor in solids: defects in quartz | |
| Pickett, Warren E. (UC Davis) | Alkaline Earth Hexaborides: Whence the Ferromagnetism? | |
| Saito, Susumu (Tokyo Institute of Technology) | Superconductivity Revisited: FET vs. Chemical Doping into Fullerite | |
| Scalettar, Richard T. (UC Davis) | Correlated Calculations for Realistic Systems: the Cerium Volume Collapse | |
| Souza, Ivo (Rutgers University) | First-Principles Approach to Insulators in Finite Electric Fields | |
| Terakura, Kiyoyuki (Research Institute for Computational Sciences (RICS), Japan) | Attempts for Large-Scale Ab Initio Electronic Structure Calculations | |
| Trave, Andrea (Princeton University) | Atomistic mechanisms of the pressure-induced collapse of quartz from first-principle simulations | |
| Ventra, Massimiliano Di (Virginia Tech) | Transport in Nanoscale Conductors from First Principles | |
| Wang, LinWang (LBNL) | Large scale electronic structure calculations: algorithms and methodology developments | |
| Williamson, Andrew (Lawrence Livermore National Laboratory) | Quantum Monte Carlo Simulations of Semiconductor Nanostructures | |
| Zettl, Alex (UC Berkeley/LBNL) | Experiments on the transport and mechanical properties of nanoscale materials | |
2001 | ||
| Blöchl, Peter E (Uni. Clausthal) | A New Two-Thermostat Formulation of Ab-Initio Molecular Dynamics | |
| Burke, Kieron (Rutgers University) | What is Time-Dependent Density Functional Theory ? | |
| Carloni, Paolo (SISSA/ISAS) | Water in Proteins: a Car-Parrinello Investigation | |
| Cava, R. J (Princeton University) | A Chemical View of the new Superconductors MgB2 and MgCNi3 and a Question for Theorists about Electronic Structure | |
| Ceperley, David (UIUC) | Methods for Coupled Electronic-Ionic Monte Carlo | |
| Cohen, Marvin L (UC Berkeley) | Almost Ab Initio Calculations for Superconductors | |
| Foulkes, M (Imperial College/Cornell) | Exchange and Correlation in the Strongly Inhomogeneous Electron Gas | |
| Fuchs, Martin (Louvain) | Exchange-correlation functionals for chemical accuracy and van der Waals interactions: Implementation of the adiabatic-connection fluctuation-dissipation theorem and application to H2 and Be2 | |
| Godby, Rex W (University of York) | Ab-initio Total Energies from Many-Body Perturbation Theory | |
| Gonze, Xavier (Louvain) | The ABINIT software project | |
| Groves, John T (Princeton University) | Reactive Metal-Oxo Complexes in Biology. Understanding Cytochrome P450, AlkB, Methane Monooxygenase and Myoglobin, | |
| Ismail-Beigi, Sohrab (UC Berkeley) | Coupling of Nonlocal Potentials to Electromagnetic Fields | |
| Kaxiras, Efthimios (Harvard University) | Multiscale Approaches based on Ab-Initio Calculations | |
| King-Smith, R. D | An efficient internal coordinate method for optimization of periodic structures | |
| Martinez, Todd J (UIUC) | Ab-Initio Quantum Molecular Dynamics | |
| Marzari, Nicola (Princeton University) | Extended-Space Car-Parrinello Molecular Dynamics | |
| Mauri, Francesco (Paris VI) | All-electron magnetic response with pseudopotentials: NMR chemical shifts | |
| Mitas, Lubos (NCSU) | Electronic structure of nanosystems by quantum Monte Carlo methods | |
| Rappe, Andrew (UPenn) | Efficient Algorithms and Compact Wavefunctions for VQMC | |
| Rogers, Christopher (UPenn) | A Geometric Formulation of Quantum Stress Fields in Density Functional Theory | |
| Schmidt, W. Gero (Uni. Jena) | Realistic Calculations of Surface Optical Properties: The Influence of Defects ,Self-energy and Excitonic Effects | |
| Singh, David | Lattice Distortions and Local Structure in Piezoelectric Pb(ZrTi)O3 Alloys | |
| van Schilfgaarde, Mark (Sandia) | GW Method Based on the Full-Potential LMTO Method | |
| Vanderbilt, David (Rutgers University) | Exponential Decay Properties of Wannier Functions and Related Quantities | |
| Zunger, Alex (NREL) | Pseudopotential Many-Body Theory of the Electronic Structure of 10**3 to 10**6 Atom Quantum Nanostructures | |
2000 | ||
| Bartlett, Rodney J (University of Florida) | Ab initio Density Functional Theory | |
| Bellaiche, Laurent (University of Arkansas) | Finite Temperature Properties of Ferroelectric Alloys from First Principles | |
| Bertsch, George (University of Washington) | Real-Time Implementation of TDDFT | |
| Chang, Eric (University of California at Berkeley) | Optical Spectrum and Excitons of Alpha Quartz | |
| Fahy, Stephen (University College, Cork) | Optimal Single-Particle Orbitals from Energy Fluctuations in Correlated Wavefunctions | |
| Filippi, Claudia (University College, Cork) | Computation of Forces in Quantum Monte Carlo | |
| Galli, Giulia (Lawrence Livermore National Laboratory) | First Principles Molecular Dynamics Simulations: Successes and Open Problems | |
| Ismail-Beigi, Sohrab (Massachusetts Institute of Technology) | New Algebraic Formulation of ab initio Calculation: DFT++ | |
| Jarrell, Mark (University of Cincinnati) | Dynamical Cluster Approximation | |
| Karki, Bijaya (University of Minnesota) | High-Pressure Thermoelasticity of Minerals from First Principles | |
| Kronik, Leeor (University of Minnesota) | Electronic and Structural Properties of Sodium Clusters: A Pseudopotential Based Density Functional Approach | |
| Landman, Uzi (Georgia Tech) | Small is Different: Large-Scale Simulations for the Nanoscale | |
| Militzer, Burkhard (University of Illinois at Urbana-Champaign) | Path Integral Simulation of Hot, High Pressure Hydrogen | |
| Persson, Mats (Chalmers/Güteborg University) | Theory of Single Molecule Vibrational Spectroscopy and Microscopy | |
| Röthlisberger, Ursula | Overcoming the Time Scale Problem in Ab Initio Molecular Dynamics Simulations | |
| Roland, Christopher (North Carolina State University) | Theoretical Investigations of Quantum Transport through Carbon-Nanotube Devices | |
| Savrasov, Sergej (Rutgers University) | Electronic Structure Calculations with Dynamical Mean Field Theory | |
| Souza, Ivo (University of Illinois at Urbana-Champaign) | Polarization and Localization in Insulators: Generating Function Approach | |
| Städele, Martin (University of Illinois at Urbana-Champaign) | Density-Functional Calculations with Exact Exchange | |
| Staunton, Julie B (University of Warwick) | Spin Fluctuations in Nearly Magnetic Metals from ab-initio Dynamical Spin Susceptibility Calculations | |
| Voter, Arthur (Los Alamos National Laboratory) | Methods for Accelerating Molecular Dynamics Simulation of Infrequent Events | |
1999 | ||
| Bowler, David (University College-London) | Density Matrices in O(N) Density Functional Theory | |
| Challacombe, Matt (Los Alamos National Lab) | New Methods for Linear Scaling SCF Theory | |
| Di Ventra, Massimiliano (Vanderbilt University) | Transport Calculations in Nanostructures Froin First-Principles | |
| Fattenbert, Jean-Luc (North Carolina State University) | Non-orthogonal Localized Orbitals for Lal-ge-scale Density-functional Calculations with Muligrid Acceleration | |
| Hess, Daryl (Naval Research Lab) | Quasiparticle Band Structure, Excitation Spectra, and Density Functional Theories | |
| Ihm, Jisoon (Seoul National University) | Transport and Field Emission In Vstrious Structures of Carbon Nanotubesl | |
| Johnson, Duane (UIUC) | Order(N) for Metals: Myths or Reality? | |
| Jonsson, Lars (The Ohio State University) | Tilne-dependent Biexciton Correlations in Nanoscale Quantum Dot | |
| Krieger, Joe (Brooklyn College, CUNY) | Construction and Application of an Accurate Self-Interaction-Corrected Correlation Energy Functional Based on an Electron Gas with a Gap | |
| Moroni, Saverio (Trieste) | Reptation Quantum Monte Caslo | |
| Nardelli, Marco (North Carolina State University) | Electronic Transport From Localized Orbital Hamiltonians: Application to Carbon Nanotubes | |
| Ortiz, Gerardo (Los Alamos National Lab) | Weak Ferromagnetism in the Electron Gas | |
| Pedersen, Mark (Naval Research Lab) | Electronic Structure, Magnetic Ordering and Spin-Orbit Couplingin Molecular Scale Magnets | |
| Perdew, John (Tulane University) | Jellium Surface Energy Revisited: Consistent Estimates from Density FunctionalTheory | |
| Strechel, Ellen (Ford Motor Co) | Real-Space (or Gaussian-based), Wannier-like Non-orthogonal Orbitals in Linearscaling, Density-functional Calculations | |
| Terakura, Kiyoyuki (Tsukuba) | Large Capability and 'Incapability of the Present ab initio Calculations in the Context of Transition-Metal Oxides | |
| Terelli, Tommaso (UIUC) | New Insights from Quantum Monte Carlo Jahn-Teller vs. Peierls Effect in Carbon Rings and Stability of High Energy Storage Nitrogen Molecules | |
| Vasiliev, Igor (University of Minnesota) | Time Dependent LDA Computing the Optical Properties of Clusters | |
| White, Steven (University of California, Irvine) | The Density Matrix Renormalization Group for O(N) Density Functional Calculations and for Quantum Chemistry | |
| Wolvertson, Chris (Ford) | Large-Scale (100,000 atom) Coherent Alloy Morphologies from First Principles | |
1998 | ||
| Albers, Robert C (Los Alamos National Lab) | Electronic Structure and Correlation Effects in Actinides | |
| Arias, Tomás | Multiscale Monte Carlo Sampling for Total Energy Electronic Structure Calculations | |
| Baer, Roy (U Cal Berkeley) | Linear Scaling Energy Renormalization Group Method: Electronic Structure of Large Systems with Small HOMO-LUMO Gaps | |
| Benedict, Lorin X (NIST) | Iterative Computation of Optical Absorption Including the Electron-Hole Interaction | |
| Bernholz, Jerzy (North Carolina State U) | Growth, Closure, and Breakage Mechanisms of Nanotubes | |
| Côtó, Michel (U Cal Berkeley) | Properties of C36: From Molecule to Solid | |
| Charlier, Jean-Christopher (U Catholique de Louvain) | Microscopic Growth Mechanism for Carbon Nanotubes | |
| Cho, Kyeongjae (Stanford) | Dynamical Processes on Silicon Surfaces | |
| Görling, Andreas (Technische U München) | A Kohn-Sham Method for Solids with Exact Exchange Potential and Energy | |
| Hellberg, C. Stephen (Naval Research Lab) | Investigating Strongly Correlated Systems with Density Functional Theory and Lattice Models | |
| Joannopoulos, John D | Deliberately Designed Materials: A Challenge for Ab Initio Investigations | |
| Kübler, Jürgen (Technische U Darmstadt) | Noncollinear Magnetism in Itinerant-Electron Systems | |
| Kent, Paul (U Cambridge) | Quantum Monte Carlo Techniques for Excited States of Periodic Systems | |
| Kleinman, Leonard (U Texas) | Spin Wave and Spiral Density Wave Calculations in Real Crystals | |
| Koch, Erik (Max Planck Inst) | Correlation Effects in the Alkali-Doped Fullerides | |
| Marzari, Nicola (Rutgers) | Maximally Localized Wannier Functions: Theory and Applications | |
| Phillips, Robert (Brown) | Electronic Structure Without All of the Atoms: Linking Finite Elements and Quantum Mechanics | |
| Ramer, Nicholas (U Penn) | Designed Nonlocal Pseudopotentials with Enhanced Transferability | |
| Resta, Raffaele (U Trieste) | A Position Operator in Extended Systems | |
| Rohlfing, Michael (U Cal Berkeley) | The Role of Electron-Hole Interaction in Ab Iizitio Calculations of Optical Absorption Spectra | |
| Rudin, Sven (Georgetown) | Patterns and Hierarchies in Expansions of Nonorthogonal Slater Determinants | |
| Savin, Andreas (CNRS & U Pierre et Marie Curie) | CI and DF: Multi-Determinant Wave Functions and Short-Range Density Functionals | |
| Singh, David (Naval Research Lab) | The Weighted Density Approximation: Theory, Algorithms, and Applications | |
| Soler, José (U Autónoma de Madrid) | SIESTA: A Versatile Program for Self-consistent Density Functional Order-N Calculations | |
| Stephan, Uwe (UIUC) | Variational vs Projection Techniques -How Efficient and How Accurate Are Linear-Scaling Schemes? | |
1997 | ||
| Ashcroft, Neil (Cornell) | Electronic Instabilities in Dense Hydrogen | |
| Barbiellini, Bernardo (Helsinki U Technology) | Optimization of Many-Body Functions by the Stochastic Gradient Approximation | |
| Coker, David (Boston U) | Electronically Nonadiabatic Excited State Dynamics of Molecules in the Condensed Phase | |
| Dobson, John (Griffith U) | Prospects for a Van der Waals Density Functional | |
| Filippi, Claudia (UIUC) | Excitation Energies from Density Functional Perturbation Theory | |
| Gonze, Xavier (Louvain-la-Neuve) | Kohn-Sham Theory of Polar Insulators | |
| Gross, E. K. U (Hardy and U Wurzburg) | Density Functional Theory of Excited States and Time-Dependent Phenomena | |
| Hamann, Donald (Bell Labs & Lucent Technologies) | GGA's in Adaptive Coordinates- Theory and Critical Applications | |
| Hood, Randy (Cambridge) | Monte Carlo Investigation of Exchange and Correlation in Silicon | |
| Ihm, Jisoon (U Cal Berkeley) | New Computational Scheme to Calculate Tunneling Rate and Conductivity Based on the Plane-Wave Conjugate-Gradient Method | |
| Kalos, Malvin (Cornell U) | The Future of High-Performance Computing and Computational Science (After-dinner talk) | |
| Kim, Hanchul (U Minn) | Electronic and Structural Properties of the As Vacancy on the (110) Surface of GaA's | |
| Manousakis, Efstratios (Florida State U) | The Ground State of Strongly Correlated Electrons on a 2D Lattice | |
| Marat, Valiev (U Conn) | Effective Action Formulation of Density-Functional Theory | |
| Martin, Richard (UIUC) | Microscopic Functional Theory of Dielectrics | |
| Nardelli, Marco Buongiorno (N Carolina State U) | Theory of Surfaces and Interfaces in Wide-Gap Nitrides | |
| Nusterer, Ernst (IBM Zurich Research Lab) | Polar Molecules in Zeolite Catalysts: A PAW AB Initio Molecular Dynamics Study (96) | |
| Pfrommer, Bernd (U Cal Berkeley) | Ab Initio Calculation of NMR Chemical Shifts in Solids | |
| Rabe, Karin (Yale) | Ferroelectric Phase Transitions from First Principles | |
| Rapisarda, Francesco (Johannes Kepler U) | Diffusion Monte Carlo Study of the Phase Diagram of Coupled Electron-Electron and Electron-Hole Layers | |
| Rehr, John (U Washington) | Real-Space Multiple Scattering Calculations of X-Ray Absorption Spectra | |
| Shirley, Eric (NIST) | Modeling Core-Hole Effects in X-Ray Absorption and Resonance Fluorescence | |
| Sprik, Michiel (IBM Zurich) | Ab Initio Molecular Dynamics Simulation of Chemical Reactions | |
| Tully, John (Yale) | Molecular Dynamics with Quantum Transitions | |
| Vignale, Giovanni (U Missouri Columbia) | Superconductivity in Electron-Hole Double Layers | |
| Waghmare, Umesh (Harvard) | Prediction of Enhanced Ductility in MoSi2 from First Principles | |
1996 | ||
| Becke, Axel D (Queen's U) | Exact (Hartree-Fock) Exchange and Density Functional Theory | |
| Benedict, Lorin (U Cal Berkeley) | Electronic Structure and Transport Properties of Carbon Nanotubes and Heterojunctions | |
| Binggeli, Nadia (U Cal Berkeley) | Ban Structure Engineering at Metal-Semiconductor Interfaces | |
| Butler, William (Oak Ridge Natl. Lab) | First Principles Calculations of Electronic Transport in Layered Systems | |
| Deavan, David M (Iowa State U) | Geometry Optimization Using a Genetic Algorithm | |
| Engel, Gerhard (Naval Research Lab) | Towards a Density Functional for Band Structures and Total Energies | |
| Gillan, Michael J (U Keele) | Linear Scaling Density Functional Theory: A Practical Scheme | |
| Goedecker, Stefan A (Max Planck Inst) | Localized Orbitals: A Physically Meaningful Picture Leading to Intrinsically Parallel Algorithms for Electronic Structure Calculations | |
| Gunnarsson, Olle (Max Planck Inst) | Mott Transition and Large Orbital Degeneracy: Lattice Monte Carlo Calculations for a Fullerene Model | |
| Harmon, Bruce (Iowa State U) | Ab Initio Spin Dynamics for Magnets | |
| Jones, Matthew D (UIUC) | Atoms in Strong Magnetic Fields | |
| Kresse, Georg (Technical U Vienna) | Efficient Iterative Matrix Diagonalization Schemes for Ab Initio Total Energy Calculations of Metals and Semiconductors | |
| Lewis, Steven (U Penn) | Computing Long Wavelength Phonons for Surfaces: The Case of CO on Copper | |
| Maiti, Amitesh (Oak Ridge Natl. Lab) | Theory of Carbon Nanotube Growth and Bending | |
| Marzari, Nicola (Rutgers) | Ensemble-DFT Molecular Dynamics and the Pre-Melting of A1 | |
| Needs, Richard J (Cambridge U) | Quantum Monte Carlo Calculations for Solids | |
| Ogut, Serdar (U Minnesota) | Defects and Energetics of Si Quantum Dots: A Real Space Approach | |
| Pasquarello, Alfredo (IRRMA) | A First Principles Study of the Si-Si02 Interface: Relation Between Si 2p Core Level Shifts and Structure | |
| Rabe, Karin M (Yale) | Anomalous Effective Charges and Far IR Optical Absorption of Intermetallic Semiconductors from First Principles | |
| Rapcewicz, Krzysztof (North Carolina State U) | A Consistent Methodology for Calculating Surface and Interface Energies | |
| Wei, Siqing (Georgia Tech) | Wavelets in Self-consistent Electronic Structure Calculations | |
| Wentzcovitvh, Renata M (U Minn) | Pressure Induced Amorphization in Bas: A Possible Inhibited Dissociation | |
| York, Darrin M (Harvard) | Quantum Mechanical Study of Aqueous Polarization Effects on Biological Macromolecules | |
1995 | ||
| Blasé, Xavier (University of California at Berkeley) | A Mixed-Space Formalism for Dielectric Response Calculations | |
| Boisvert, Ronald (National Institute of Standards and Technology) | Sources and Development of Mathematical Software | |
| Boninsegni, Massimo (University of Illinois) | Fixed-Node Quantum Monte Carlo calculations for frustrated antiferromagnets | |
| Briggs, Emil (North Carolina State University, Raleigh) | Electronic Structure Calculations on a Real Space Mesh with Multigrid Acceleration | |
| Burke, Kieron (Tulane University) | Ab-initio electronic structure: The case forgradient corrections | |
| Chou, Mei-Yin (Georgia Institute Of Technology) | Finding transferable tight-binding total energy models for semiconductors | |
| Gonze, Xavier (Universite Catholique de Louvain) | Density-Polarization Functional Theory of the response of an insulating solid to an electric field | |
| Grossman, Jeffrey (University of Illinois) | Electronic Structure of Silicon and Carbon Clusters: Comparison of Mean-Field and Quantum Monte Carlo Methods | |
| Hohl, Detlef (KFA Juelich) | First principles free energies - mixing hydrogen and helium | |
| Jonsson, Lars (The Ohio State University) | Large local-field corrections in optical rotatory power of quartz and selenium | |
| Krakauer, Henry (College of William and Mary) | LAPW Linear Response Calculations of Lattice Dynamics | |
| Liu, Amy (Georgetown University) | The electron-phonon interaction: a linear-response approach | |
| Marx, Dominik (Max-Planck-Institut fuer Festkoerperforschung) | Path-Integral Car-Parrinello Molecular Dynamics | |
| Mauri, Francesco (University of California, Berkeley) | Wannier and Bloch orbital computation of the non-linear susceptibility | |
| Mehl, Micheal (Naval Research Laboratory) | A New Tight-Binding Total Energy Method for Solids | |
| Miyamoto, Yoshiyuki (University of California at Berkeley) | Ab-initio and tight-binding studies of electronic properties of carbon and B-C-N tubules | |
| Nightingale, Peter (University of Rhode Island) | Many-body correlations and many-body wave functions: an approach using invariants | |
| Ordejon, Pablo (University of Illinois) | Linear Scaling Methods: The Path Towards Quantum Simulations in Very Large Systems | |
| Steiner, Matthew (The Ohio State University) | Some advances in CI calculations: Partitioning and State-Selection | |
| Tuckerman, Mark (University of Pennsylvania) | New molecular dynamics techniques for integrating the Car-Parrinello equations of motion | |
| Vanderbilt, David (Rutgers University) | Overview of Variational Linear-Scaling Methods | |
| Zhang, Shiwei (Los Alamos National Laboratory) | A Constrained Path Quantum Monte Carlo Method for Fermion Ground States | |
| Zhong, Weiqing (Rutgers University) | Structural Phase Transitions in Cubic Perovskites From First Principles | |
1993 | ||
| Arias, Thomas | Wavelets | |
| Aryasetiawan, Ferdi (Max-Planck Inst., Stuttgart) | GW method for transition metals | |
| Baroni, Stefano (SISSA Trieste) | Auxiliary-Field Quantum Monte Carlo for Systems with Long-Range Repulsive Interactions | |
| Blochl, Peter (IBM Zurich) | PAW: an all-electron method for first-principles molecular dynamics | |
| Boghosian, Bruce (Thinking Machines) | Quantum Monte Carlo for Fermions: Algorithms, Scaling Parallelization and Implementation | |
| Drabold, David (Illinois) | Statistical Approach to Linear System Size Scaling for the Electronic Structure Problem | |
| Farid, Behnam (Cambridge University) | Dynamical many-body effects in solids | |
| King-Smith, Dominic (Rutgers) | Theory of Electrical Polarization in Crystalline Solids | |
| Li, Xiao-Ping (Rutgers) | Order N Density-Matrix Method for Total Energy Calculation | |
| Mauri, Francesco (IRRMA Lausanne) | Orbital Formulation For Electronic-structure Calculations With Linear Sistem-size Scaling | |
| Methfessel, Michael (Fritz-Haber, Berlin) | Forces in the Full-Potential LMTO method with application to Ti_8 C_12 | |
| Mitas, Lubos (Illinois) | Quantum Monte Carlo of Nitrogen Systems | |
| Natoli, Vincent (Illinois) | Monte Carlo Studies of Solid Hydrogen | |
| Northrup, John (Xerox) | Electronic structure of a single layer of Si calculated with the GW approximation | |
| Ortiz, Gerardo (Illinois) | 2-D Fermions in a magnetic field: The Fixed-Phase Method | |
| Pasquarello, Alfredo (IRRMA Lausanne) | Ab-Initio Molecular Dynamics for d-Electron System: Liquid Copper | |
| Rappe, Andrew (Berkeley) | The Excitation Spectrum of the Fractional Quantum Hall Fluid | |
| Resta, Rafaelle (SISSA Trieste) | Macroscopic electric polarization in density-functional theory: the Berry's phase approach | |
| Scalettar, Richard (U.C. Davis) | Using a Novel Analytic Continuation Technique to Determine the Charge Transfer Gap of the Three Band Hubbard Model | |
| Shirley, Eric (U.C. Berkeley) | Electron Excitations in Solid Undoped C60 | |
| Stechel, Ellen (Sandia) | N-Scaling Algorithm for Density Functional Calculations of Metals and Insulators | |
| Surh, Michael (Lawrence Livermore) | Phase Transitions in Solid Molecular Hydrogen | |
| Umrigar, Cyrus (Cornell) | Comparison of Exact and Approximate Density Functionals: a Quantum Monte Carlo Study | |
| White, Steven (U.C. Irvine) | The Density Matrix Renormalizaton Group | |
| Zhu, Xuejun (AT&T) | Wigner Crystal versus Quantum Hall Liquid: Finite Densities and Finite Temperatures | |
1992 | ||
| Albers, R (LANL) | Perturbation Theory to 2nd Order in U around Mean-Field LDA: Band-Structure Results for Correlated d and f Electron Systems | |
| Brommer, K. D (Analytyx) | Massively Parallel ab initio Total Energy Calculations on the Connection Machine | |
| Chelikowsky, J (U. Minn) | Order-disorder transformations and elastic anomalies in silica | |
| Frick, M (Groningen) | A Stochastic Diagonalization Technique to Compute Ground State Properties of Many-Particle Quantum Systems | |
| Gygi, F (IBM Zurich) | Adaptive Riemannian metric for electronic structure calculations | |
| Lee, C (Harvard) | Ab initio studies on high pressure phases of ice | |
| Lu, J.-P (UIUC) | Orientational Disorder, Electronic States and Transport Properties in A_3C60 | |
| Meade, R | Electromagnetic waves in periodic dielectric: the computation of photonic bandstructures | |
| Parr, R | Two new ideas in density functionals: (i) Conjointness between T[rho] and K[rho]; and (ii) Direct calculation of T[rho] | |
| Parrinello, M (IBM Zurich) | Large scale electronic structure calculations | |
| Perdew, J (Tulane) | Generalized gradient approximation for exchange and correlation | |
| Saito, S (NEC Res. Labs, Japan) | Density-density response function and one- electron Green's function in metal clusters | |
| Sankey, O (Ariz. State) | Approximate ab initio dynamics | |
| Scheffler, M (Fritz Haber Inst) | Alkali metal adsorption and diffusion on Al | |
| Schluter, M (AT&T Bell) | Superconductivity in C60 | |
| Silvestrelli, P (SISSA) | Auxiliary field QMC for continuous systems | |
| Singh, D | Attaining Car-Parrinello Scaling in Mixed Basis and LAPW Electronic Structure Methods | |
| Takeuchi, N (SISSA) | Large reconstructions and disordering of Ge (111) | |
| Wentzcowitz, R (SUNY, Stonybrook) | First Principles Molecular Dynamics with Variable Cell Shape | |
| Wenzel, W (Ohio State) | Basis set reduction in Hilbert space | |
| Wimmer, E (Biosym) | Chemical Energetics with DFT | |
| Zhang, Q (NCSU) | C60 dynamics, isomerization, and precursors | |
1990 | ||
| Barnett, Robert (Berkeley) | Quantum Monte Carlo calculation of transition dipole moments | |
| Baroni, Stefano (SISSA) | Structure and thermo dynamics of semiconductor alloy from computational alchemy | |
| Bartlett, Rob (Florida) | Some Challenges from quantum chemistry | |
| Ceperley, David (Illinois) | Calculation of excitation energies with quantum Monte Carlo | |
| Chacham, Helio (Berkeley) | Insulator-metal transition in solid Xenon and Hydrogen | |
| Chan, C. T (Ames Lab) | olecular dynamics with tight-binding Hamiltonians | |
| Godby, Rex (Cambridge) | Exchange and correlation in Schottky barriers and heterojunctions | |
| Gonze, Xavier (Cornell) | Variational density functional perturbation theory | |
| Kalos, Malvin (Cornell) | Exact Monte Carlo for few-electron systems | |
| Kotliar, Gabriel (Rutgers) | Quantum Monte Carlo algorithm for Fermion systems | |
| McMahan, Andy (Livermore) | Model Hamiltonians from local density functional theory | |
| Mitas, Lubos (Illinois) | Nonlocal pseudopotentials and quantum Monte Carlo methods | |
| Norman, Mike (Argonne) | How to get band gaps for transition metal oxides | |
| Schmidt, Kevin (Arizona State) | Correlated Wavefunction for the atoms He through Ne | |
| Shirley, Eric (Illinois) | Quasiparticles and pseudopotentials__ | |
| Smargiassi, Enrico (Oxford) | Calculations of free-energies | |
| Stechal, Ellen (Sandia) | X-ra absorption in one-band Hubbard model for cuprates | |
| Sullivan, Dan (N. Carolina) | Real-Space iterative electronic structure calculations: multigrid- based approach | |
| Svane, Axel | Self-interaction correction calculations of transition metal oxides | |
| Wan, Lin (Cornell) | New kinetic energy functionals | |
| Yang, Weitao (Duke) | Direct calculation of electron density in density-functional theory | |
| Zhu, Xuejun (Berkeley) | Theory of the quasiparticle mass in semiconductors | |
| Zunger, Alex (NREL) | First-principles statistical mechanics of ordered and disordered systems | |
1989 | ||
| Allen, Douglas | Subspace diagonalization | |
| Baroni, Stefano | A novel technique for simulating the Hubard model | |
| Car, Roberto | Dynamics of disorded materials | |
| Ceperley, David | Pseudo-hamiltonians | |
| Chan, Chiting | Tight Binding MD simulations | |
| Christiansen, Phillip | Effective Potential QMC | |
| Fahy, Steven | Variational QMC for solids | |
| Fernando, Gayanath | MD for Metals | |
| Galli, Giulia | Efficient Total Energy Minimizations for Linear Clusters:Applications to Hg Dimers | |
| Kalia, Rajiv | Quantum Molecular Dynamics | |
| Krotscheck, Eckhart | Short ranged structure of Inhomogenous Electron Gas | |
| Mason, Bruce | Path integral Monte Carlo simulations of electron dynamics | |
| Methfessel, M | Full Potential LMTO | |
| Pederson, Mark | Optimized localized orbitals | |
| Rehr, John | LDA for quasiparticles | |
| Resta, Raffaele | Algorithms for Linear Response Functions | |
| Reynolds, Peter | Core Damping | |
| Shirley, Eric | Extended Norm-Conserving Pseudopotentials | |
| Soler, Jose | Calculation of Forces in LAPW | |
| Tarnow, Eugen | Total Energy minimizations | |
| Trivedi, Nandini | GFMC calculations of the Heisenberg model | |
| Umrigar, Cyrus | Determination of Wavefunctions with Quantum Monte Carlo | |
| White, Steve | New developments in fermion Monte Carlo | |
