Continuum Quantum Monte Carlo Methods
CECAM-HQ-EPFL, Lausanne, Switzerland
We will focus on continuum methods: ground state methods such as variational, diffusion and reptation Monte Carlo and finite temperature methods: path integral Monte Carlo. The labs will teach from two modern C++ codes developed at the University of Illinois: QMCPACK and PIMC++ by the authors of those codes. The tutorial will have lectures in the morning and interactive laboratories in the afternoon.
We plan to have about 3 hours of lectures given every morning by D. Ceperley and others and afternoon labs organized by Jeongnim Kim and Bryan Clark. The plan is:
Day 1: Introduction to Monte Carlo, Variational Monte Carlo, and trial wavefunctions, optimization.
Lab Day 1: Programming for variational Monte Carlo
Day 2: Diffusion Monte Carlo, Ewald Sums, Pseudopotentials, Finite Size effects, forward walking.
Lab Day 2: QMCPAC application to diffusion Monte Carlo
Day 3 Path Integral Monte Carlo for Boltzmannons and Bosons
Lab Day 3: PIMC++, application to helium
Day 4: Reptation Monte Carlo, Path Integral Monte Carlo for Fermions, Coupled-Electron Ion MC
Lab Day 4: Special Topics: to be arranged.
Carlo Pierleoni (University of L'Aquila) - Organiser & speaker
David Ceperley (University of illinois at Urbana-Champaign) - Organiser & speaker
Bryan Clark (Princeton University) - Organiser & speaker
Jeongnim Kim (Oak Ridge National Laboratory) - Organiser
Luke Shulenburger (Sandia National Laboratories) - Organiser & speaker