Materials Computation Center

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.

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:

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 18-20, 2008.

Photo of ES2001 by Nicola Mazari.

The Understanding Complex Systems Symposium

The Understanding Complex Systems Symposium (UCS) brings together researchers from many academic disciplines and industry to stimulate cross-disciplinary 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: 3-6 speakers are Hispanic, one plenary speaker is African-American, one plenary speaker is an American-Indian 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 World-University-Network (WUN) International Conference on Spintronic Materials and Technology

Held at the Beckman Institute at the the University of Illinois (June 21-23, 2010). The 3rd WUN International Conference on “Spintronic Materials and Technology” (WUN-SPIN10) is a follow-up of the 1st (WUN-SPIN07, York, UK 2007) and the 2nd (WUN-SPIN08, 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: Jean-Pierre 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 wide-scale participation, these events provide a unique, valuable snapshot of current research. The MCC also provides web support for other NSF-supported events.

2006 NSF Cyberinfrastructure in Materials Research Town Hall Meeting

Image from Presentation at 2005 NSF HPC 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

Image from Presentation at 2005 NSF HPC 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 follow-up 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

Image from calculaiton at 2004 NSF DMR ITR Meeting

June 17-19, 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, co-PIs, and postdocs; student attendance is not required. The workshop will end around 1pm.

2002 NSF Division of Materials Research ITR Computational Workshop

Image of 2002 NSF Review

June 19-20, 2002 Meeting Description: The NSF-DMR, 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 cross-talk 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
2005-06-13 Richard Martin, University of Illinois Talk
Overview of Electronic Structure (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory
2005-06-13 Richard Martin, University of Illinois Talk
Density Functional Theory; Kohn-Sham equations (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory
2005-06-13 Richard Martin, University of Illinois Talk
Electron Bands (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory
2005-06-13 Richard Martin, University of Illinois Talk
Bands (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory
2005-06-13 Richard Martin, University of Illinois Talk
Pseudopotentials � Band structures (pdf) Part of: Overview of Electronic Structure theory and methods including Density Functional Theory
2005-06-14 Donald R. Hamann, Bell Labs and Rutgers Talk
Learning ABINIT (pdf) Part of: Hands-on introduction to the plane wave pseudopotential code ABINIT using the ABINIT
2005-06-14 Donald R. Hamann, Bell Labs and Rutgers Talk
Abinit response-function capabilities (pdf) Part of: Hands-on introduction to the plane wave pseudopotential code ABINIT using the ABINIT
2005-06-14 Donald R. Hamann, Bell Labs and Rutgers Talk
Abinit response-function capabilities -- Figures (pdf) Part of: Hands-on introduction to the plane wave pseudopotential code ABINIT using the ABINIT
2005-06-14 Donald R. Hamann, Bell Labs and Rutgers Talk
Final Exam for Participants of the Summer School (pdf) Part of: Hands-on introduction to the plane wave pseudopotential code ABINIT using the ABINIT
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
Introduction to the SIESTA method (pdf) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
Introduction to the SIESTA method (ppt) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
Pseudopotential and basis generation | (pdf) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
Pseudopotential and basis generation | (ppt) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
How to run SIESTA (pdf) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Talk
How to run SIESTA (ppt) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Lecture
Sistematics (pdf) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Lecture
Sistematics (pdf) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-15 J. Miguel Alonso-Pruneda, Instituto de Ciencia de Materiales Computer_lab
SIESTA (tar) Part of: Hands-on introduction to the local orbital pseudopotential code SIESTA for electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids
2005-06-18 Duane D. Johnson, University of Illinois at Urbana-Champaign 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 Multi-scale methods by Global Data integration
2005-06-18 Duane D. Johnson, University of Illinois at Urbana-Champaign 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 Multi-scale methods by Global Data integration
2005-06-18 N. Zarkevich, University of Illinois at Urbana-Champaign Lecture
Improving Accuracy of Thermodynamics predicted from Multi-scale 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 Multi-scale methods by Global Data integration
2005-06-18 Duane D. Johnson, N. Zarkevich, University of Illinois at Urbana-Champaign 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 Multi-scale methods by Global Data integration
2005-06-19 Gus Hart, Northern Arizona University Computer_lab
Cluster Expansions: Treating the effects of strain (gz) Part of: Constructing Cluster Expansions for Size-Mismatched Systems and Genetic Algorithm Strategy for Cluster Expansions
2005-06-19 Gus Hart, Northern Arizona University Lecture
Cluster Expansions: Treating the effects of strain (pdf) Part of: Constructing Cluster Expansions for Size-Mismatched Systems and Genetic Algorithm Strategy for Cluster Expansions
2005-06-19 Gus Hart, Northern Arizona University Lecture
Building Model Hamiltonians via an Evolutionary Approach (pdf) Part of: Constructing Cluster Expansions for Size-Mismatched Systems and Genetic Algorithm Strategy for Cluster Expansions
2005-06-20 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
2005-06-20 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
2005-06-21 Dane Morgan, University of Wisconsin Lecture
Thermodynamics, Phase Diagrams, and the Cluster Expansion (pdf) Part of: Thermodynamics, Phase Diagrams, and the Cluster Expansion
2005-06-21 Dane Morgan, University of Wisconsin Computer_lab
Thermodynamics, Phase Diagrams, and the Cluster Expansion (zip) Part of: Thermodynamics, Phase Diagrams, and the Cluster Expansion
2005-06-22 Anton van der Ven, University of Michigan Lecture
Diffusion (pdf) Part of: Diffusion in Alloys via the Cluster Expansion
2005-06-22 Anton van der Ven, University of Michigan Lecture
Kinetic (pdf) Part of: Diffusion in Alloys via the Cluster Expansion
2006-08-01 Stefano Baroni, Sissa Trieste and DEMOCRITOS Lecture
Density-functional pertubation theory (pdf) Part of: General introduction to total energy and forces in DFT, and path finding methods
2006-08-01 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
2006-08-01 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
2006-08-05 Guido Fratesi,University of Milan Lecture
PWSCF First Examples [pdf] (pdf) Part of: Density-functional perturbation theory
2006-08-05 Guido Fratesi,University of Milan Lecture
Rare Events [pdf] (pdf) Part of: Density-functional perturbation theory
2006-08-05 Guido Fratesi,University of Milan Lecture
Structural Optimization [pdf] (pdf) Part of: Density-functional perturbation theory
2006-08-06 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: Car-Parrinello and Born-Oppenheimer molecular dynamics
2006-08-06 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: Car-Parrinello and Born-Oppenheimer molecular dynamics
2006-08-07 Brett Bode, Iowa State University Lecture
GAMESS and MACMOLPLT (pdf) Part of: Quantum Chemistry with GAMESS
2006-08-07 Brett Bode, Iowa State University Lecture
Lab: Quantum Chemistry with GAMESS (pdf) Part of: Quantum Chemistry with GAMESS
2006-08-07 Brett Bode, Iowa State University Lecture
Lab: README.MacMolPlt (txt) Part of: Quantum Chemistry with GAMESS
2006-08-07 Thom Dunning, UIUC Lecture
Using Basis Sets to Solve the Electronic Schrodinger Equation with Electron Correlation (pdf) Part of: Convergence in Electronic Structure Methods
2006-08-07 Thom Dunning, UIUC Lecture
Using Basis Sets to Solve the Hartree-Fock-Equations (pdf) Part of: Convergence in Electronic Structure Methods
2006-08-07 Thom Dunning, UIUC Lecture
Exercise: Systematic Improvement of Basic Sets (pdf) Part of: Convergence in Electronic Structure Methods
2006-08-08 Lubos Mitas North Carolina State University Lecture
Quantum Monte Carlo Methods (pdf) Part of: Fundamentals of Quantum Monte Carlo
2006-08-08 Lubos Mitas North Carolina State University Lecture
Quantum Monte Carlo Methods: recent developments and applications (pdf) Part of: Fundamentals of Quantum Monte Carlo
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
Approximate methods for large molecular systems (ppt) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
DFT and VdV interactions (ppt) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
Introduction into DFTB: Part 3 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
Introduction into DFTB: Part 1 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
Introduction into DFTB: Part 2 of 3 (pdf) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Marcus Elstner, University of Heidelberg Lecture
QM/MM Calculations and Applications to Biophysics (ppt) Part of: Theory, Performance and Applications of DFTB
2006-08-08 Lubos Mitas North Carolina State University Lecture
Quantum Monte Carlo lab notes (ppt) Part of: Fundamentals of Quantum Monte Carlo
2006-08-08 Lubos Mitas North Carolina State University Lecture
Quantum Monte Carlo Methods (pdf) Part of: Fundamentals of Quantum Monte Carlo
2006-08-08 Lubos Mitas North Carolina State University Lecture
Quantum Monte Carlo Methods: recent developments and applications (pdf) Part of: Fundamentals of Quantum Monte Carlo
2006-08-09 Glenn Martyna IBM Lecture
Equations of Motion and Numerical Integration (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Glenn Martyna IBM Lecture
Equilibrium Statistical Mechanics (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Glenn Martyna IBM Lecture
Introduction to Car-Parrinello Ab Initio MD (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Spiridoula Matsika Temple University Lecture
Conical Intersections (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections
2006-08-09 Spiridoula Matsika Temple University Lecture
Electronic Structure for Excited States (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections
2006-08-09 Glenn Martyna IBM Lecture
Equations of Motion and Numerical Integration (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Glenn Martyna IBM Lecture
Equilibrium Statistical Mechanics (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Glenn Martyna IBM Lecture
Introduction to Car-Parrinello Ab Initio MD (pdf) Part of: Equilibrium Classical Statistical Mechanics
2006-08-09 Spiridoula Matsika Temple University Lecture
Conical Intersections (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections
2006-08-09 Spiridoula Matsika Temple University Lecture
Electronic Structure for Excited States (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections
2006-08-09 Spiridoula Matsika Temple University Lecture
Lab: Multi-reference (pdf) Part of: Electronic Structure for Excited States (Multiconfigurational Methods) and Conical Intersections
2006-08-10 Srinivasan Iyengar Indiana University Lecture
ADMP (ppt) Part of: Atom Centered Density Matrix Propagation
2006-08-10 Srinivasan Iyengar Indiana University Lecture
ADMP: Theory and Applications (ppt) Part of: Atom Centered Density Matrix Propagation
2006-08-10 Victor Batista, Yale University Lecture
Introduction to AIMD Simulations (pdf) Part of: Grid-Based Wavepacket Propagation
2006-08-10 Victor Batista, Yale University Lecture
Lecture Notes: Solutions to AIMD Problems (pdf) Part of: Grid-Based Wavepacket Propagation
2006-08-10 Srinivasan Iyengar Indiana University Lecture
ADMP (ppt) Part of: Atom Centered Density Matrix Propagation
2006-08-10 Srinivasan Iyengar Indiana University Lecture
ADMP: Theory and Applications (ppt) Part of: Atom Centered Density Matrix Propagation
2006-08-10 Todd Martinez, UIUC Lecture
Ab Initio Multiple Spawning Dynamics (pdf) Part of: Ab Initio Multiple Spawning Dynamics
2006-08-10 Todd Martinez, UIUC Lecture
2006-08-10 Todd Martinez, UIUC Lecture
Ab Initio Quantum Molecular Dynamics (pdf) Part of: Ab Initio Multiple Spawning Dynamics
2006-08-10 Todd Martinez, UIUC Lecture
Introduction to Full Multiple Spawning using MOPAC (pdf) Part of: Ab Initio Multiple Spawning Dynamics
2006-08-10 Jason Quenneville, Los Alamos National Laboratory Lecture
Reactive Empirical Force Fields (pdf) Part of: Reactive Empirical Force Fields
2006-08-10 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
2006-08-10 Alejandro Strachan, Purdue University Lecture
Lab: deformation of nanoscale materials (pdf) Part of: Molecular Dynamics Modeling of Thermal and Mechanical Properties
2006-08-10 Alejandro Strachan, Purdue University Lecture
Molecular dynamics modeling of thermal and mechanical properties (pdf) Part of: Molecular Dynamics Modeling of Thermal and Mechanical Properties
2007-07-09 Ronald Cohen Lecture
Introduction to DFT (pdf) Part of: Introduction to DFT
2007-07-09 Lars Stixrude Lecture
Introduction to Geophysics (pdf) Part of: Introduction to Geophysics
2007-07-09 Jeongnim Kim Computer_lab
Introduction to the labs (pdf) Part of: Introduction to QMC
2007-07-09 Ronald Cohen Lecture
Introduction to DFT (pdf) Part of: Introduction to DFT
2007-07-09 Lars Stixrude Lecture
Introduction to Geophysics (pdf) Part of: Introduction to Geophysics
2007-07-09 David Ceperley, Burkhard Militzer Lecture
Introduction to QMC (pdf) Part of: Introduction to QMC
2007-07-09 Ronald Cohen, Richard Hennig Computer_lab
Structural optimizations within DFT (Abinit code) (pdf) Part of: Introduction to DFT
2007-07-09 Jeongnim Kim Computer_lab
Introduction to the labs (pdf) Part of: Introduction to QMC
2007-07-10 Claudia Filippi Lecture
Introduction to QMC-- Variational MC (VMC) and trial wavefunctions (pdf) Part of: Introduction to QMC-- Variational MC (VMC) and trial wavefunctions
2007-07-10 Lubos Mitas Lecture
Nonlocal pseudopotentials in DFT and VMC (pdf) Part of: Nonlocal pseudopotentials in DFT and VMC
2007-07-10 Jeongnim Kim Computer_lab
VMC using the QMCPACK code (pdf) Part of: VMC using the QMCPACK code and Ground-state QMC with QMCPACK
2007-07-10 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
2007-07-10 Claudia Filippi Lecture
Introduction to QMC-- Variational MC (VMC) and trial wavefunctions (pdf) Part of: Introduction to QMC-- Variational MC (VMC) and trial wavefunctions
2007-07-10 Lubos Mitas Lecture
Nonlocal pseudopotentials in DFT and VMC (pdf) Part of: Nonlocal pseudopotentials in DFT and VMC
2007-07-10 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
2007-07-10 Jeongnim Kim Computer_lab
VMC using the QMCPACK code (pdf) Part of: VMC using the QMCPACK code and Ground-state QMC with QMCPACK
2007-07-11 Claudia Filippi Lecture
Diffusion Monte Carlo (DMC)-The basics (pdf) Part of: Diffusion Monte Carlo (DMC)-The basics
2007-07-11 Lubos Mitas Lecture
Fixed-node method and geminal nodes (pdf) Part of: Fixed-node method and geminal nodes
2007-07-11 Ken Esler Computer_lab
Pseudopotential generation with Opium (A) (pdf) Part of: Pseudopotential generation with Opium (A)
2007-07-11 Claudia Filippi Lecture
Diffusion Monte Carlo (DMC)-The basics (pdf) Part of: Diffusion Monte Carlo (DMC)-The basics
2007-07-11 Richard Hennig Lecture
Electronic properties, band gaps, defects in silicon (pdf) Part of: Electronic properties, band gaps, defects in silicon
2007-07-11 Lubos Mitas Lecture
Fixed-node method and geminal nodes (pdf) Part of: Fixed-node method and geminal nodes
2007-07-11 Ken Esler Computer_lab
Pseudopotential generation with Opium (A) (pdf) Part of: Pseudopotential generation with Opium (A)
2007-07-12 Dario Alfe Lecture
QMC on geomaterials (pdf) Part of: QMC on geomaterials
2007-07-12 Claudia Filippi Lecture
Selected topics in diffusion Monte Carlo (pdf) Part of: Selected topics in diffusion Monte Carlo
2007-07-12 Ronald Cohen Lecture
Lattice Dynamics, Thermal Properties, and Density Functional Perturbation Theory (pdf) Part of: Lattice Dynamics, Thermal Properties, and Density Functional Perturbation Theory
2007-07-12 Dario Alfe Lecture
QMC on geomaterials (pdf) Part of: QMC on geomaterials
2007-07-12 Claudia Filippi Lecture
Selected topics in diffusion Monte Carlo (pdf) Part of: Selected topics in diffusion Monte Carlo
2007-07-13 Neil Drummond Lecture
Ewald Interactions and Finite-Size Errors (pdf) Part of: Ewald Interactions and Finite-Size Errors
2007-07-13 Dario Alfe Lecture
Order(N) methods in QMC (pdf) Part of: Order(N) methods in QMC
2007-07-13 Neil Drummond Lecture
Ewald Interactions and Finite-Size Errors (pdf) Part of: Ewald Interactions and Finite-Size Errors
2007-07-13 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
2007-07-13 Dario Alfe Lecture
Order(N) methods in QMC (pdf) Part of: Order(N) methods in QMC
2007-07-16 Michele Casula Lecture
New pairing wavefunctions and methods for nonlocal pseudopotentials (pdf) Part of: New pairing wavefunctions and methods for nonlocal pseudopotentials
2007-07-16 Pablo Lopez Rios Lecture
Nodes using backflow coordinate transformations (pdf) Part of: Nodes using backflow coordinate transformations
2007-07-16 Neil Drummond Lecture
Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electron-hole systems (zip) Part of: Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electron-hole systems
2007-07-16 Nancy Makri Lecture
Real-time Path Integral MC (I) (pdf) Part of: Real-time Path Integral MC
2007-07-16 Michele Casula Lecture
New pairing wavefunctions and methods for nonlocal pseudopotentials (pdf) Part of: New pairing wavefunctions and methods for nonlocal pseudopotentials
2007-07-16 Pablo Lopez Rios Lecture
Nodes using backflow coordinate transformations (pdf) Part of: Nodes using backflow coordinate transformations
2007-07-16 Neil Drummond Lecture
Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electron-hole systems (pdf) Part of: Overview of Applications in the Cambridge Group: QMC Studies of Real Systems and QMC study of electron-hole systems
2007-07-16 Nancy Makri Lecture
Real-time Path Integral MC (I) (pdf) Part of: Real-time Path Integral MC
2007-07-17 Burkhard Militzer Lecture
Path Integral MC for distinguishable particles (pdf) Part of: Path Integral MC for distinguishable particles
2007-07-17 David Ceperley Lecture
Reptation MC method (pdf) Part of: Reptation MC method
2007-07-17 Cyrus Umrigar Lecture
Variational optimization and multi-determinants (pdf) Part of: Variational optimization and multi-determinants
2007-07-17 Burkhard Militzer Lecture
Path Integral MC for distinguishable particles (pdf) Part of: Path Integral MC for distinguishable particles
2007-07-17 Saad Khairallah, Burkhard Militzer Computer_lab
PIMC for distinguishable particle (pdf) Part of: Path Integral MC for distinguishable particles
2007-07-17 David Ceperley Lecture
Reptation MC method (pdf) Part of: Reptation MC method
2007-07-17 Cyrus Umrigar Lecture
Variational optimization and multi-determinants (pdf) Part of: Variational optimization and multi-determinants
2007-07-18 Shiwei Zhang Lecture
Auxiliary Field Methods (pdf) Part of: Auxiliary Field Methods
2007-07-18 Burkhard Militzer Lecture
Bosons I: Path Integral MC for bosons (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications
2007-07-18 Jeongnim Kim Lecture
Ground-state QMC with QMCPACK (pdf) Part of: VMC using the QMCPACK code and Ground-state QMC with QMCPACK
2007-07-18 Shiwei Zhang Lecture
Auxiliary Field Methods (pdf) Part of: Auxiliary Field Methods
2007-07-18 Burkhard Militzer Lecture
Bosons I: Path Integral MC for bosons (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications
2007-07-18 Jeongnim Kim Lecture
Ground-state QMC with QMCPACK (pdf) Part of: VMC using the QMCPACK code and Ground-state QMC with QMCPACK
2007-07-19 David Ceperley Lecture
Bosons II: Bosonic Applications (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications
2007-07-19 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
2007-07-19 David Ceperley Lecture
PIMC for Fermions (pdf) Part of: PIMC for Fermions
2007-07-19 Nancy Makri Lecture
Real-time Path Integral MC (II) (pdf) Part of: Real-time Path Integral MC
2007-07-19 David Ceperley Lecture
Bosons II: Bosonic Applications (pdf) Part of: Bosons: Path Integral MC for bosons and Bosonic Applications
2007-07-19 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
2007-07-19 David Ceperley Lecture
PIMC for Fermions (pdf) Part of: PIMC for Fermions
2007-07-19 Nancy Makri Lecture
Real-time Path Integral MC (II) (pdf) Part of: Real-time Path Integral MC
2008-06-18 Richard Needs, University of Cambridge Talk
Predicting crystal structures by random searching (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-18 Richard Hennig, Cornell University Talk
Quasi-two-dimensional electronic states in a dense three-dimensional Li-Be alloy (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-18 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
2008-06-18 Tzu-Liang 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
2008-06-18 Lucia Reining, CNRS-Ecole Polytechnique Talk
Ab initio calculations of electronic response ingredients, results and challenges (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-18 Li Yang, University of California at Berkeley Talk
GW-BSE Calculation of the Optical Response of Spin Polarized Materials and Nanostructures (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-18 Fernando Reboredo, Oak Ridge National Laboratory Talk
Fullerenes: a workbench for many-body theories benchmarks (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-19 Jan Kunes, University of Augsburg Talk
Transition Metal Oxides: Mott Transition under Pressure (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-19 Sandro Sorella, SISSA Talk
Recent progress with Lattice Regularized Diffusion Monte Carlo (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-19 Philipp Werner, Columbia University Talk
Diagrammatic Monte Carlo simulation of quantum impurity models (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-19 Shiwei Zhang, College of William and Mary Talk
A stochastic independent-electron approach for correlated system (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-19 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
2008-06-19 Ferdi Aryasetiawan, Chiba University, Japan Talk
Constrained RPA calculations of the Hubbard U (pdf) Part of: Talks on Recent Developments in Electronic Structure
2008-06-20 Emil Prodan, Yeshiva University Talk
Tunneling conductance of molecular wires (pdf) Part of: Talks on Recent Developments in Electronic Structure