Tuesday, May 12th
- Welcome
- Introduction to variational and diffusion Monte Carlo
- Practical variational and diffusion Monte Carlo
- Installing and Running QMCPACK
- Hands-on lab session
- NEXUS workflows
- Hands-on lab session
Wednesday, May 13th
- Periodic calculations and finite size corrections
- Hands-on lab session
- Overview of auxiliary field quantum Monte Carlo
- Practical auxiliary field quantum Monte Carlo
- New observables in auxiliary field quantum Monte Carlo
- Hands-on lab session
Thursday, May 14th
- Trial wavefunction selection and optimization
- Orbital optimization in real space
- Computing and analyzing observables: charge density, momentum distribution & density matrices
- Hands-on lab session
- User research talk
- Poster session
Friday morning, May 15th
- QMCPACK roadmap and discussion
- Contributing to QMCPACK
- Final Q&A
- Open lab session for attendees to run their own problems
- Workshop ends by midday
