Summer Schools and Workshops
The Materials Computation Center holds annual Summer Schools on current topics in computational materials science, which typically generate about 30 hours of lecture videos and 1,000 pages of lecture notes. Many of the summer school teaching materials and computer labs are available for download from the Schools' websites, listed below.
The Center also participates in workshops, symposia, and meetings by providing funding, through organizing and hosting, and by providing instruction and lecture materials. Currently, the MCC sponsors the yearly "Understanding Complexity Symposium" and the "Recent Developments in Electronic Structure Methods", a roaming workshop initiated by UIUC.
Summer Schools on Computational Materials Science
Downloadable summer school teaching materials and computer labs are listed below.
 2016 Quantum Monte Carlo Training Program June 510, 2016 at NCSA (2016)
 Quantum Monte Carlo Training Program July 1418, 2014 at Argonne National Laboratory (2014)
 Quantum Monte Carlo Applications and Methods (2012)
 2010 Tutorial on ElectronicStructure Calculations for Spintronicrelated Materials (2010)
 2010 NanoBiophotonics Summer School (2010)
 2009 NanoBiophotonics Summer School Lectures (2009)
 2009 NanoBiophotonics Summer School (2009)
 Recent Developments in Electronic Structure Methods (2008)
 Quantum Monte Carlo from Minerals and Materials to Molecules (2007)
 Multiscale Theory, Simulation, and Reality at the NanoBio Interface (2007)
 Ab Initio Molecular Dynamics Simulation Methods in Chemistry (2006)
 Handson introduction to Electronic Structure and Thermodynamics Calculations of Real Materials (2005)
 Introduction to Computational Nanotechnology (2004)
 Theoretical and Computational Biology (2003)
 Computational Approaches for Simulation of Electron Devices and MEMS (2002)
 Tools for multiple length and time scales (2001)
Annual Workshops
Recent Developments in Electronic Structure Methods
The annual Workshop on Recent Developments in Electronic Structure Methods connects active participants in electronic structure theory from universities, colleges, government labs, and industrial labs from around the world. The invited presentations and contributed posters 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. This workshop was started by David M. Ceperley and Richard M. Martin (Physics, UIUC) in 1989. In 19 years, this workshop has been hosted by 13 universities including:
 The Ohio State University
 Cornell University
 Georgia Institute of Technology
 University of California at Santa Barbara
 St. Mary’s College of Maryland, and
 North Carolina State University.
Each year, MCC provides seed money for the Electronic Structure Methods workshop. This funding enables wider local student participation and helps organizers gain additional support. The workshop is funded by both local organizations and by the National Science Foundation, Materials World Network: The Materials Computation Center Outreach Effort Award #1107472.
The MCC hosted the 2008 Recent Developments in Electronic Structure Methods workshop, June 1820, 2008.
The Understanding Complex Systems Symposium
The Understanding Complex Systems Symposium (UCS) brings together researchers from many academic disciplines and industry to stimulate crossdisciplinary research activities involving complex systems. Originated by Alfred Hübler (Physics, UIUC) in 2001, this event has grown yearly. The training of the speakers is rather diverse: Physics and Material Science, Engineering, Computer Science, Cognitive Science, Genetics and Biology, Math, Bioinformatics Physiology, Management, Medical Science, and Social Science.
Over four days, UCS 2005 had 300 researchers, including two Nobel Laureates, and 150 graduate students, who gave 122 talks. The speakers came from diverse backgrounds: 36 speakers are Hispanic, one plenary speaker is AfricanAmerican, one plenary speaker is an AmericanIndian woman, and there were over a dozen other female speakers. International speakers came from Armenia, Bulgaria, Canada, Germany, Israel, Italy, Japan, and the United Kingdom.
2010 WorldUniversityNetwork (WUN) International Conference on Spintronic Materials and Technology
Held at the Beckman Institute at the the University of Illinois (June 2123, 2010). The 3rd WUN International Conference on “Spintronic Materials and Technology” (WUNSPIN10) is a followup of the 1st (WUNSPIN07, York, UK 2007) and the 2nd (WUNSPIN08, Nanjing & Hangzhou 2008) conferences. This conference is intended to be a forum for experts to discuss the new scientific and technological developments in the field of spintronics.
Local organizers: JeanPierre Leburton and Duane Johnson.
Other Workshops and NSF Meetings
With support from the Frederick Seitz Materials Research Laboratory and the National Center for Supercomputing Applications, the MCC organizes meetings and reviews on behalf of the National Science Foundation. Through widescale participation, these events provide a unique, valuable snapshot of current research. The MCC also provides web support for other NSFsupported events.
2006 NSF Cyberinfrastructure in Materials Research Town Hall Meeting
August 3, 2006 Meeting Description: This meeting brought together leading researchers in Materials Science, including experts in the application of cyberinfrastructure to materials research. It also included some experts from other scientific domains who have pioneered the use of cyberinfrastructure in their research. These experts represented areas where we project that cyberinfrastructure issues will impact materials research in the upcoming years, such as the creation and exploitation of databases and the curation and analysis of very large datasets.
2005 NSF High Performance Computing Town Hall Meeting
October 17, 2005 Meeting Description: To break down barriers to communication, this meeting will occur in the cyber world and the real world. There will be a virtual forum for the group to help facilitate discussions leading to a report to NSF. The meeting will take place on October 17, 2005 and will be hosted by the Materials Computation Center, on the University of Illinois campus, with participation of access grid nodes across the country. The meeting will report progress on the main questions a bove and identify candidate benchmarks to measure the performance of high performance computers at the "production machine" level and those at the "petascale" level. A followup meeting, date to be determined, will crystallize the view of the community on this aspect of high performance computing.
2004 NSF Division of Materials Research ITR Computational Workshop
June 1719, 2004 Meeting Description: The first two days of the workshop will highlight the exciting science supported by current NSF Information Technology Research grants managed by the Materials Theory program in the Division of Mater ials Research. The Thursday/Friday presentations will be of interest to PIs, postdocs, and students. The third day of the workshop will be devoted to discussing and identifying cyberinfrastructure needs to support the scientific aspirations (the "cyberscience") of the materials theory community. The Saturday presentations will be of interest pr imarily to the PIs, coPIs, and postdocs; student attendance is not required. The workshop will end around 1pm.
2002 NSF Division of Materials Research ITR Computational Workshop
June 1920, 2002 Meeting Description: The NSFDMR, and Materials Theory in particular, has invested significant resources in computational materials research over the past decade. DMR and Materials Theory will conduct a review of research supporte d under various computational initiatives (HPCC/CARM, KDI, ITR), as well as larger projects such as Focussed Research Groups and NIRT's with a computational focus. As it is virtually impossible to visit all of the groups, the main goal is to have a concer ted review of all groups simulaneously, especially to encourage crosstalk among grantees; to provide an opportunity for young investigators to present their research; and, to provide the computational community with an overview of opportunities available in computational sciences at NSF, especially through ITR.
Index of Summer Schools Videos and Lectures
Records Returned: 280
Date Presented  Instructor  Type  Title 

20050613  Richard Martin, University of Illinois  Talk 
Overview of Electronic Structure (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory

20050613  Richard Martin, University of Illinois  Talk 
Density Functional Theory; KohnSham equations (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory

20050613  Richard Martin, University of Illinois  Talk 
Electron Bands (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory

20050613  Richard Martin, University of Illinois  Talk 
Bands (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory

20050613  Richard Martin, University of Illinois  Talk 
Pseudopotentials � Band structures (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory

20050614  Donald R. Hamann, Bell Labs and Rutgers  Talk 
Learning ABINIT (pdf) Part of: Handson introduction to the plane wave pseudopotential code ABINIT using the ABINIT

20050614  Donald R. Hamann, Bell Labs and Rutgers  Talk 
Abinit responsefunction capabilities (pdf) Part of: Handson introduction to the plane wave pseudopotential code ABINIT using the ABINIT

20050614  Donald R. Hamann, Bell Labs and Rutgers  Talk 
Abinit responsefunction capabilities  Figures (pdf) Part of: Handson introduction to the plane wave pseudopotential code ABINIT using the ABINIT

20050614  Donald R. Hamann, Bell Labs and Rutgers  Talk 
Final Exam for Participants of the Summer School (pdf) Part of: Handson introduction to the plane wave pseudopotential code ABINIT using the ABINIT

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
Introduction to the SIESTA method (pdf) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
Introduction to the SIESTA method (ppt) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
Pseudopotential and basis generation  (pdf) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
Pseudopotential and basis generation  (ppt) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
How to run SIESTA (pdf) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Talk 
How to run SIESTA (ppt) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Lecture 
Sistematics (pdf) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Lecture 
Sistematics (pdf) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050615  J. Miguel AlonsoPruneda, Instituto de Ciencia de Materiales  Computer_lab 
SIESTA (tar) Part of: Handson introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids

20050618  Duane D. Johnson, University of Illinois at UrbanaChampaign  Lecture 
Electronic Structure Effects and Energies of Alloy Transformations (pdf) Part of: Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians and Improving Accuracy of Thermodynamics predicted from Multiscale methods by Global Data integration

20050618  Duane D. Johnson, University of Illinois at UrbanaChampaign  Lecture 
Basics of Cluster Expansions and Getting a Optimal Cluster Expansion (pdf) Part of: Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians and Improving Accuracy of Thermodynamics predicted from Multiscale methods by Global Data integration

20050618  N. Zarkevich, University of Illinois at UrbanaChampaign  Lecture 
Improving Accuracy of Thermodynamics predicted from Multiscale methods by Global Data integration (pdf) Part of: Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians and Improving Accuracy of Thermodynamics predicted from Multiscale methods by Global Data integration

20050618  Duane D. Johnson, N. Zarkevich, University of Illinois at UrbanaChampaign  Computer_lab 
Computer Lab (zip) Part of: Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians and Improving Accuracy of Thermodynamics predicted from Multiscale methods by Global Data integration

20050619  Gus Hart, Northern Arizona University  Computer_lab 
Cluster Expansions: Treating the effects of strain (gz) Part of: Constructing Cluster Expansions for SizeMismatched Systems and Genetic Algorithm Strategy for Cluster Expansions

20050619  Gus Hart, Northern Arizona University  Lecture 
Cluster Expansions: Treating the effects of strain (pdf) Part of: Constructing Cluster Expansions for SizeMismatched Systems and Genetic Algorithm Strategy for Cluster Expansions

20050619  Gus Hart, Northern Arizona University  Lecture 
Building Model Hamiltonians via an Evolutionary Approach (pdf) Part of: Constructing Cluster Expansions for SizeMismatched Systems and Genetic Algorithm Strategy for Cluster Expansions

20050620  Axel van der Walle, Northwestern University  Lecture 
ATAT Overview (pdf) Part of: ATAT  A software toolkit for modeling coupled configurational and vibrational disorder in alloy systems

20050620  Axel van der Walle, Northwestern University  Computer_lab 
ATAT Computer Lab (zip) Part of: ATAT  A software toolkit for modeling coupled configurational and vibrational disorder in alloy systems

20050621  Dane Morgan, University of Wisconsin  Lecture 
Thermodynamics, Phase Diagrams, and the Cluster Expansion (pdf) Part of: Thermodynamics, Phase Diagrams, and the Cluster Expansion

20050621  Dane Morgan, University of Wisconsin  Computer_lab 
Thermodynamics, Phase Diagrams, and the Cluster Expansion (zip) Part of: Thermodynamics, Phase Diagrams, and the Cluster Expansion

20050622  Anton van der Ven, University of Michigan  Lecture 
Diffusion (pdf) Part of: Diffusion in Alloys via the Cluster Expansion

20050622  Anton van der Ven, University of Michigan  Lecture 
Kinetic (pdf) Part of: Diffusion in Alloys via the Cluster Expansion

20060801  Stefano Baroni, Sissa Trieste and DEMOCRITOS  Lecture 
Densityfunctional pertubation theory (pdf) Part of: General introduction to total energy and forces in DFT, and path finding methods

20060801  Stefano Baroni, Sissa Trieste and DEMOCRITOS  Lecture 
Computer simulation of thermally activated processes (pdf) Part of: General introduction to total energy and forces in DFT, and path finding methods

20060801  Stefano Baroni, Sissa Trieste and DEMOCRITOS  Lecture 
Molecular structure and dynamics with DFT (pdf) Part of: General introduction to total energy and forces in DFT, and path finding methods

20060805  Guido Fratesi,University of Milan  Lecture 
PWSCF First Examples [pdf] (pdf) Part of: Densityfunctional perturbation theory

20060805  Guido Fratesi,University of Milan  Lecture 
Rare Events [pdf] (pdf) Part of: Densityfunctional perturbation theory

20060805  Guido Fratesi,University of Milan  Lecture 
Structural Optimization [pdf] (pdf) Part of: Densityfunctional perturbation theory

20060806  Nicola Marzari, MIT; Paolo Giannozzi, Scuola Normale Superiore and DEMOCRITOS; Axel Kohlmeyer,University of Pennsylvania  Lecture 
Ab Initio Molecular Dynamics: Part One (pdf) Part of: CarParrinello and BornOppenheimer molecular dynamics

20060806  Nicola Marzari, MIT; Paolo Giannozzi, Scuola Normale Superiore and DEMOCRITOS; Axel Kohlmeyer,University of Pennsylvania  Lecture 
Ab Initio Molecular Dynamics: Part Two (pdf) Part of: CarParrinello and BornOppenheimer molecular dynamics

20060807  Brett Bode, Iowa State University  Lecture 
GAMESS and MACMOLPLT (pdf) Part of: Quantum Chemistry with GAMESS

20060807  Brett Bode, Iowa State University  Lecture 
Lab: Quantum Chemistry with GAMESS (pdf) Part of: Quantum Chemistry with GAMESS

20060807  Brett Bode, Iowa State University  Lecture 
Lab: README.MacMolPlt (txt) Part of: Quantum Chemistry with GAMESS

20060807  Thom Dunning, UIUC  Lecture 
Using Basis Sets to Solve the Electronic Schrodinger Equation with Electron Correlation (pdf) Part of: Convergence in Electronic Structure Methods

20060807  Thom Dunning, UIUC  Lecture 
Using Basis Sets to Solve the HartreeFockEquations (pdf) Part of: Convergence in Electronic Structure Methods

20060807  Thom Dunning, UIUC  Lecture 
Exercise: Systematic Improvement of Basic Sets (pdf) Part of: Convergence in Electronic Structure Methods

20060808  Lubos Mitas North Carolina State University  Lecture 
Quantum Monte Carlo Methods (pdf) Part of: Fundamentals of Quantum Monte Carlo

20060808  Lubos Mitas North Carolina State University  Lecture 
Quantum Monte Carlo Methods: recent developments and applications (pdf) Part of: Fundamentals of Quantum Monte Carlo

20060808  Marcus Elstner, University of Heidelberg  Lecture 
Approximate methods for large molecular systems (ppt) Part of: Theory, Performance and Applications of DFTB

20060808  Marcus Elstner, University of Heidelberg  Lecture 
DFT and VdV interactions (ppt) Part of: Theory, Performance and Applications of DFTB

20060808  Marcus Elstner, University of Heidelberg  Lecture 
Introduction into DFTB: Part 3 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB

20060808  Marcus Elstner, University of Heidelberg  Lecture 
Introduction into DFTB: Part 1 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB

20060808  Marcus Elstner, University of Heidelberg  Lecture 
Introduction into DFTB: Part 2 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB

20060808  Marcus Elstner, University of Heidelberg  Lecture 
QM/MM Calculations and Applications to Biophysics (ppt) Part of: Theory, Performance and Applications of DFTB

20060808  Lubos Mitas North Carolina State University  Lecture 
Quantum Monte Carlo lab notes (ppt) Part of: Fundamentals of Quantum Monte Carlo

20060808  Lubos Mitas North Carolina State University  Lecture 
Quantum Monte Carlo Methods (pdf) Part of: Fundamentals of Quantum Monte Carlo

20060808  Lubos Mitas North Carolina State University  Lecture 
Quantum Monte Carlo Methods: recent developments and applications (pdf) Part of: Fundamentals of Quantum Monte Carlo

20060809  Glenn Martyna IBM  Lecture 
Equations of Motion and Numerical Integration (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Glenn Martyna IBM  Lecture 
Equilibrium Statistical Mechanics (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Glenn Martyna IBM  Lecture 
Introduction to CarParrinello Ab Initio MD (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Spiridoula Matsika Temple University  Lecture 
Conical Intersections (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections

20060809  Spiridoula Matsika Temple University  Lecture 
Electronic Structure for Excited States (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections

20060809  Glenn Martyna IBM  Lecture 
Equations of Motion and Numerical Integration (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Glenn Martyna IBM  Lecture 
Equilibrium Statistical Mechanics (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Glenn Martyna IBM  Lecture 
Introduction to CarParrinello Ab Initio MD (pdf) Part of: Equilibrium Classical Statistical Mechanics

20060809  Spiridoula Matsika Temple University  Lecture 
Conical Intersections (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections

20060809  Spiridoula Matsika Temple University  Lecture 
Electronic Structure for Excited States (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections

20060809  Spiridoula Matsika Temple University  Lecture 
Lab: Multireference (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections

20060810  Srinivasan Iyengar Indiana University  Lecture 
ADMP (ppt) Part of: Atom Centered Density Matrix Propagation

20060810  Srinivasan Iyengar Indiana University  Lecture 
ADMP: Theory and Applications (ppt) Part of: Atom Centered Density Matrix Propagation

20060810  Victor Batista, Yale University  Lecture 
Introduction to AIMD Simulations (pdf) Part of: GridBased Wavepacket Propagation

20060810  Victor Batista, Yale University  Lecture 
Lecture Notes: Solutions to AIMD Problems (pdf) Part of: GridBased Wavepacket Propagation

20060810  Srinivasan Iyengar Indiana University  Lecture 
ADMP (ppt) Part of: Atom Centered Density Matrix Propagation

20060810  Srinivasan Iyengar Indiana University  Lecture 
ADMP: Theory and Applications (ppt) Part of: Atom Centered Density Matrix Propagation

20060810  Todd Martinez, UIUC  Lecture 
Ab Initio Multiple Spawning Dynamics (pdf) Part of: Ab Initio Multiple Spawning Dynamics

20060810  Todd Martinez, UIUC  Lecture 
Insights for LightDriven Molecular Devices from Ab Initio Multiple Spawning ExcitedState Dynamics of Organic and Biological Chromophores (pdf) Part of: Ab Initio Multiple Spawning Dynamics

20060810  Todd Martinez, UIUC  Lecture 
Ab Initio Quantum Molecular Dynamics (pdf) Part of: Ab Initio Multiple Spawning Dynamics

20060810  Todd Martinez, UIUC  Lecture 
Introduction to Full Multiple Spawning using MOPAC (pdf) Part of: Ab Initio Multiple Spawning Dynamics

20060810  Jason Quenneville, Los Alamos National Laboratory  Lecture 
Reactive Empirical Force Fields (pdf) Part of: Reactive Empirical Force Fields

20060810  Alejandro Strachan, Purdue University  Lecture 
Exercise for Empirical Reactive Force Fields Shock compression of RDX (pdf) Part of: Molecular Dynamics Modeling of Thermal and Mechanical Properties

20060810  Alejandro Strachan, Purdue University  Lecture 
Lab: deformation of nanoscale materials (pdf) Part of: Molecular Dynamics Modeling of Thermal and Mechanical Properties

20060810  Alejandro Strachan, Purdue University  Lecture 
Molecular dynamics modeling of thermal and mechanical properties (pdf) Part of: Molecular Dynamics Modeling of Thermal and Mechanical Properties

20070709  Ronald Cohen  Lecture 
Introduction to DFT (pdf) Part of: Introduction to DFT

20070709  Lars Stixrude  Lecture 
Introduction to Geophysics (pdf) Part of: Introduction to Geophysics

20070709  Jeongnim Kim  Computer_lab 
Introduction to the labs (pdf) Part of: Introduction to QMC

20070709  Ronald Cohen  Lecture 
Introduction to DFT (pdf) Part of: Introduction to DFT

20070709  Lars Stixrude  Lecture 
Introduction to Geophysics (pdf) Part of: Introduction to Geophysics

20070709  David Ceperley, Burkhard Militzer  Lecture 
Introduction to QMC (pdf) Part of: Introduction to QMC

20070709  Ronald Cohen, Richard Hennig  Computer_lab 
Structural optimizations within DFT (Abinit code) (pdf) Part of: Introduction to DFT

20070709  Jeongnim Kim  Computer_lab 
Introduction to the labs (pdf) Part of: Introduction to QMC

20070710  Claudia Filippi  Lecture 
Introduction to QMC Variational MC (VMC) and trial wavefunctions (pdf) Part of: Introduction to QMC Variational MC (VMC) and trial wavefunctions

20070710  Lubos Mitas  Lecture 
Nonlocal pseudopotentials in DFT and VMC (pdf) Part of: Nonlocal pseudopotentials in DFT and VMC

20070710  Jeongnim Kim  Computer_lab 
VMC using the QMCPACK code (pdf) Part of: VMC using the QMCPACK code and Groundstate QMC with QMCPACK

20070710  David Ceperley, Jeongnim Kim  Computer_lab 
Error analysis using the DATASPORK java program (pdf) Part of: Simulations, random walks and error analysis and Error analysis using the DATASPORK java program

20070710  Claudia Filippi  Lecture 
Introduction to QMC Variational MC (VMC) and trial wavefunctions (pdf) Part of: Introduction to QMC Variational MC (VMC) and trial wavefunctions

20070710  Lubos Mitas  Lecture 
Nonlocal pseudopotentials in DFT and VMC (pdf) Part of: Nonlocal pseudopotentials in DFT and VMC

20070710  David Ceperley  Lecture 
Simulations, random walks and error analysis (pdf) Part of: Simulations, random walks and error analysis and Error analysis using the DATASPORK java program

Simulations, random walks and error analysis (flash) Part of: Simulations, random walks and error analysis and Error analysis using the DATASPORK java program


20070710  Jeongnim Kim  Computer_lab 
VMC using the QMCPACK code (pdf) Part of: VMC using the QMCPACK code and Groundstate QMC with QMCPACK

20070711  Claudia Filippi  Lecture 
Diffusion Monte Carlo (DMC)The basics (pdf) Part of: Diffusion Monte Carlo (DMC)The basics

20070711  Lubos Mitas  Lecture 
Fixednode method and geminal nodes (pdf) Part of: Fixednode method and geminal nodes

20070711  Ken Esler  Computer_lab 
Pseudopotential generation with Opium (A) (pdf) Part of: Pseudopotential generation with Opium (A)

20070711  Claudia Filippi  Lecture 
Diffusion Monte Carlo (DMC)The basics (pdf) Part of: Diffusion Monte Carlo (DMC)The basics

20070711  Richard Hennig  Lecture 
Electronic properties, band gaps, defects in silicon (pdf) Part of: Electronic properties, band gaps, defects in silicon

20070711  Lubos Mitas  Lecture 
Fixednode method and geminal nodes (pdf) Part of: Fixednode method and geminal nodes

20070711  Ken Esler  Computer_lab 
Pseudopotential generation with Opium (A) (pdf) Part of: Pseudopotential generation with Opium (A)

20070712  Dario Alfe  Lecture 
QMC on geomaterials (pdf) Part of: QMC on geomaterials

20070712  Claudia Filippi  Lecture 
Selected topics in diffusion Monte Carlo (pdf) Part of: Selected topics in diffusion Monte Carlo

20070712  Ronald Cohen  Lecture 
Lattice Dynamics, Thermal Properties, and Density Functional Perturbation Theory (pdf) Part of: Lattice Dynamics, Thermal Properties, and Density Functional Perturbation Theory

20070712  Dario Alfe  Lecture 
QMC on geomaterials (pdf) Part of: QMC on geomaterials

20070712  Claudia Filippi  Lecture 
Selected topics in diffusion Monte Carlo (pdf) Part of: Selected topics in diffusion Monte Carlo

20070713  Neil Drummond  Lecture 
Ewald Interactions and FiniteSize Errors (pdf) Part of: Ewald Interactions and FiniteSize Errors

20070713  Dario Alfe  Lecture 
Order(N) methods in QMC (pdf) Part of: Order(N) methods in QMC

20070713  Neil Drummond  Lecture 
Ewald Interactions and FiniteSize Errors (pdf) Part of: Ewald Interactions and FiniteSize Errors

20070713  Neil Drummond, Pablo Lopez Rios  Lecture 
Localised Orbitals, Periodic Systems and Backflow using CASINO (pdf) Part of: Localised Orbitals, Periodic Systems and Backflow using CASINO

20070713  Dario Alfe  Lecture 
Order(N) methods in QMC (pdf) Part of: Order(N) methods in QMC

20070716  Michele Casula  Lecture 
New pairing wavefunctions and methods for nonlocal pseudopotentials (pdf) Part of: New pairing wavefunctions and methods for nonlocal pseudopotentials

20070716  Pablo Lopez Rios  Lecture 
Nodes using backflow coordinate transformations (pdf) Part of: Nodes using backflow coordinate transformations

20070716  Neil Drummond  Lecture 
Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electronhole systems (zip) Part of: Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electronhole systems

20070716  Nancy Makri  Lecture 
Realtime Path Integral MC (I) (pdf) Part of: Realtime Path Integral MC

20070716  Michele Casula  Lecture 
New pairing wavefunctions and methods for nonlocal pseudopotentials (pdf) Part of: New pairing wavefunctions and methods for nonlocal pseudopotentials

20070716  Pablo Lopez Rios  Lecture 
Nodes using backflow coordinate transformations (pdf) Part of: Nodes using backflow coordinate transformations

20070716  Neil Drummond  Lecture 
Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electronhole systems (pdf) Part of: Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electronhole systems

20070716  Nancy Makri  Lecture 
Realtime Path Integral MC (I) (pdf) Part of: Realtime Path Integral MC

20070717  Burkhard Militzer  Lecture 
Path Integral MC for distinguishable particles (pdf) Part of: Path Integral MC for distinguishable particles

20070717  David Ceperley  Lecture 
Reptation MC method (pdf) Part of: Reptation MC method

20070717  Cyrus Umrigar  Lecture 
Variational optimization and multideterminants (pdf) Part of: Variational optimization and multideterminants

20070717  Burkhard Militzer  Lecture 
Path Integral MC for distinguishable particles (pdf) Part of: Path Integral MC for distinguishable particles

20070717  Saad Khairallah, Burkhard Militzer  Computer_lab 
PIMC for distinguishable particle (pdf) Part of: Path Integral MC for distinguishable particles

20070717  David Ceperley  Lecture 
Reptation MC method (pdf) Part of: Reptation MC method

20070717  Cyrus Umrigar  Lecture 
Variational optimization and multideterminants (pdf) Part of: Variational optimization and multideterminants

20070718  Shiwei Zhang  Lecture 
Auxiliary Field Methods (pdf) Part of: Auxiliary Field Methods

20070718  Burkhard Militzer  Lecture 
Bosons I: Path Integral MC for bosons (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070718  Jeongnim Kim  Lecture 
Groundstate QMC with QMCPACK (pdf) Part of: VMC using the QMCPACK code and Groundstate QMC with QMCPACK

20070718  Shiwei Zhang  Lecture 
Auxiliary Field Methods (pdf) Part of: Auxiliary Field Methods

20070718  Burkhard Militzer  Lecture 
Bosons I: Path Integral MC for bosons (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070718  Jeongnim Kim  Lecture 
Groundstate QMC with QMCPACK (pdf) Part of: VMC using the QMCPACK code and Groundstate QMC with QMCPACK

20070719  David Ceperley  Lecture 
Bosons II: Bosonic Applications (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070719  Bryan Clark and Ken Esler  Computer_lab 
Path Integral Lab with Bosons (PIMC++) (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070719  David Ceperley  Lecture 
PIMC for Fermions (pdf) Part of: PIMC for Fermions

20070719  Nancy Makri  Lecture 
Realtime Path Integral MC (II) (pdf) Part of: Realtime Path Integral MC

20070719  David Ceperley  Lecture 
Bosons II: Bosonic Applications (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070719  Bryan Clark and Ken Esler  Computer_lab 
Path Integral Lab with Bosons (PIMC++) (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications

20070719  David Ceperley  Lecture 
PIMC for Fermions (pdf) Part of: PIMC for Fermions

20070719  Nancy Makri  Lecture 
Realtime Path Integral MC (II) (pdf) Part of: Realtime Path Integral MC

20080618  Richard Needs, University of Cambridge  Talk 
Predicting crystal structures by random searching (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  Richard Hennig, Cornell University  Talk 
Quasitwodimensional electronic states in a dense threedimensional LiBe alloy (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  Valentino Cooper, Rutgers University  Talk 
Applications of the van der Waals density functional to DNA and metal organic framework materials (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  TzuLiang Chan, Institute for Computational Engineering and Sciences  Talk 
Efficient algorithms for the electronic structure of nanocrystals (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  Lucia Reining, CNRSEcole Polytechnique  Talk 
Ab initio calculations of electronic response ingredients, results and challenges (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  Li Yang, University of California at Berkeley  Talk 
GWBSE Calculation of the Optical Response of Spin Polarized Materials and Nanostructures (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080618  Fernando Reboredo, Oak Ridge National Laboratory  Talk 
Fullerenes: a workbench for manybody theories benchmarks (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  Jan Kunes, University of Augsburg  Talk 
Transition Metal Oxides: Mott Transition under Pressure (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  Sandro Sorella, SISSA  Talk 
Recent progress with Lattice Regularized Diffusion Monte Carlo (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  Philipp Werner, Columbia University  Talk 
Diagrammatic Monte Carlo simulation of quantum impurity models (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  Shiwei Zhang, College of William and Mary  Talk 
A stochastic independentelectron approach for correlated system (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  James Allen, University of Michigan  Talk 
Synergistic Opportunities for ARPES and Theory of Correlated Electron Solids (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080619  Ferdi Aryasetiawan, Chiba University, Japan  Talk 
Constrained RPA calculations of the Hubbard U (pdf) Part of: Talks on Recent Developments in Electronic Structure

20080620  Emil Prodan, Yeshiva University  Talk 
Tunneling conductance of molecular wires (pdf) Part of: Talks on Recent Developments in Electronic Structure
