CECAM - Continuum Quantum Monte Carlo MethodsContinuum Quantum Monte Carlo Methods

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 afternoon labs organized by Jeongnim Kim and Bryan Clark. The plan is:

Day 1: Introduction to Monte Carlo, Variational Monte Carlo, and trial wavefunctions.

Day 2: Diffusion Monte Carlo, Ewald Sums, Pseudopotentials, Finite Size effects, forward walking.

Day 3 Path Integral Monte Carlo for Boltzmannons and Bosons

Day 4: Reptation Monte Carlo, Path Integral Monte Carlo for Fermions, Coupled-Electron Ion MC

Day 5: Excited States, Response properties, Release Node Methods

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.

Continuum Quantum Monte Carlo Methods

Location: CECAM-HQ-EPFL, Lausanne, Switzerland

Organisers

References