| Week One: July 9–13, 2007 |
| MON, July 9 |
| Welcome and Introduction to QMC (PDF) |
David Ceperley, Burkhard Militzer |
| Introduction to Geophysics (PDF) (Powerpoint version) |
Lars Stixrude |
| Introduction to DFT (PDF) |
Ronald Cohen |
| Introduction to the labs (PDF) |
Jeongnim Kim |
| Structural optimizations within DFT (Abinit code) (PDF) |
Ronald Cohen, Richard Hennig |
| TUE, July 10 |
| Simulations, random walks and error analysis (PDF) |
David Ceperley |
| Introduction to QMC-- Variational MC (VMC) and trial wavefunctions (PDF) |
Claudia Filippi |
| Nonlocal pseudopotentials in DFT and VMC (PDF) |
Lubos Mitas |
| Error analysis using the DATASPORK java program (PDF) |
David Ceperley, Jeongnim Kim |
| VMC using the QMCPACK code (PDF) |
Jeongnim Kim |
| WED, July 11 |
| Diffusion Monte Carlo (DMC)—The basics (PDF) |
Claudia Filippi |
| Fixed-node method and geminal nodes (PDF) |
Lubos Mitas |
| Electronic properties, band gaps, defects in silicon (PDF) |
Richard Hennig |
| Pseudopotential generation with Opium (A) (PDF) |
Ken Esler |
| THU, July 12 |
| Selected topics in diffusion Monte Carlo (PDF) |
Claudia Filippi |
QMC on geomaterials (PDF) (Powerpoint version)
|
Dario Alfe |
| Lattice Dynamics, Thermal Properties, and Density Functional Perturbation Theory (PDF) |
Ronald Cohen |
Phonons with Espresso package: comparing linear response & small displacement method (PDF)
Tutorial_phonos_input.tar |
Dario Alfe |
| FRI, July 13 |
| Ewald Interactions and Finite-Size Errors (PDF) |
Neil Drummond |
| Order(N) methods in QMC (PDF) (Powerpoint version) |
Dario Alfe |
Localised Orbitals, Periodic Systems and Backflow using CASINO (PDF)
Worksheets: 1 localised orbitals (PDF), 2: finite-size effects (PDF), 3: practical backflow with CASINO; Other materials: Installing CASINO (PDF) |
Neil Drummond, Pablo Lopez Rios |
| Week Two: July 16-19, 2007 |
| MON, July 16 |
| Nodes using backflow coordinate transformations (PDF) |
Pablo Lopez Rios |
| New pairing wavefunctions and methods for nonlocal pseudopotentials (PDF) (Powerpoint verison) |
Michele Casula |
Overview of Applications in the Cambridge Group:
"QMC Studies of Real Systems" (PDF) (Powerpoint version)
and "QMC study of electron-hole systems" (PDF)
|
Neil Drummond |
| Real-time Path Integral MC (I) (PDF) |
Nancy Makri |
| TUE, July 17 |
| Variational optimization and multi-determinants (PDF) |
Cyrus Umrigar |
| Path Integral MC for distinguishable particles (PDF) (Powerpoint version) |
Burkhard Militzer |
| Reptation MC method (PDF) |
David Ceperley |
| PIMC for distinguishable particle (PDF) |
Saad Khairallah, Burkhard Militzer |
| WED, July 18 |
| Auxiliary Field Methods (PDF) |
Shiwei Zhang |
Bosons I: Path Integral MC for bosons (PDF) (Powerpoint version)
|
Burkhard Militzer |
| Ground-state QMC with QMCPACK (PDF) |
Jeongnim Kim |
| THU, July19 |
| Bosons II: Bosonic Applications (PDF) |
David Ceperley |
| PIMC for Fermions (PDF) |
David Ceperley |
| Real-time Path Integral MC (II) (PDF) (Powerpoint version) |
Nancy Makri |
| Path Integral Lab with Bosons (PIMC++) (PDF) |
Bryan Clark and Ken Esler
|
