Files for the QMCPACK Users Workshop 12-14 December 2023 held at Argonne National Laboratory.
More information and schedule.
Latest QMCPACK manual and QMCPACK source code.
Recordings of the presentations are on the QMCPACK YouTube channel and a dedicated playlist.
- Workshop Introduction, Paul Kent (ORNL). Slides PDF. Recorded presentation on YouTube
- "Fostering accuracy in modelling materials and molecular complexes with quantum Monte Carlo", Andrea Zen (Universita di Napoli, Italy). Recorded presentation on YouTube
- "Recent past and near future of DMC calculations in real materials", Fernando Reboredo (ORNL). Recorded presentation on YouTube
- "QMCPACK force calculations for effective potentials of dense hydrogen", David Ceperley (UIUC). Recorded presentation on YouTube
- "Towards QMCPACK v4.0", Paul Kent (ORNL). Slides PDF. Recorded presentation on YouTube
- "Driving the batched code with NEXUS", Jaron Krogel (ORNL). Slides PDF. Recorded presentation on YouTube
- "CPU and GPU performance of the batched code", Ye Luo (ANL). Slides PDF. Recorded presentation on YouTube
- "Accurate Electronic and Magnetic Properties of 2D Materials Using Quantum Monte Carlo Methods", Daniel Wines (NIST). Slides PDF. Recorded presentation on YouTube
- "Spin Orbit Coupling in QMCPACK", Cody Melton (SNL). Slides PDF. Recorded presentation on YouTube
- "Development of new correlation-consistent effective core potentials", Benjamin Kincade (NCSU). Slides PDF. Recorded presentation on YouTube
- "Orbital Optimization", Joshua Townsend and Amanda Dumi (SNL). Slides PDF. Recorded presentation on YouTube
- "Use of the surrogate Hessian method for geometry optimization", Jaron Krogel (ORNL). Slides PDF. Recorded presentation on YouTube
- "Fermi surface calculation with QMCPACK", Jaron Krogel (ORNL). Slides PDF. Recorded presentation on YouTube
- "Using Quantum Monte Carlo to understand hydrogen storage in metal decorated graphene", Yasmine Al-Hamadani (UCL). Recorded presentation on YouTube
- "VMC Wave Function Optimization for Excited States in Molecules and Solids", Leon Otis (University Of Chicago). Recorded presentation on YouTube
- "Force-free identification of minimum-energy pathways and transition states using quantum Monte Carlo methods", Gopal Iyer (Brown University). Recorded presentation on YouTube
- "Modeling Correlated Two-Dimensional Magnets with QMC", Can Ataca (University of Maryland, Baltimore County). Recorded presentation on YouTube
- "Enhanced Twist-Averaging Technique for Magnetic Metals: Applications using Quantum Monte Carlo", Gani Annaberdiyev (ORNL). Slides PDF. Recorded presentation on YouTube