QMC and QMCPACK Summer School 2025

This repository contains the presentation materials and examples for the Quantum Monte Carlo (QMC) and QMCPACK Summer School, July 2025.

Summer school website and registration.

How to download and use the VirtualBox or UTM machine image for the Summer School.

Latest QMCPACK manual and Source code on GitHub.

Presentations will be uploaded to YouTube throughout the month and linked here. Access to the live Zoom sessions requires registration.

Session 1 / Tuesday July 1 / 11 am Eastern US time : Introduction and Kickoff

• Speaker: Paul Kent
• Presentation PDF. Recorded video presentation on YouTube.

Session 2 / Thursday July 3 / 11 am Eastern US time : Fundamentals of Quantum Monte Carlo

• Speaker: Paul Kent
• Presentation PDF. Recorded video presentation on YouTube.

Session 3 / Tuesday July 8 / 11 am Eastern US time : Pseudopotentials, Workflows and Statistics

• Speakers: Lubos Mitas, Omar Madany, Jaron Krogel
• "Pseudopotentials/effective core potentials - and their place in QMC", Lubos Mitas. Presentation PDF. Recorded video presentation on YouTube.
• "Correlation consistent effective core potential", Omar Madany. Presentation PDF. Recorded video presentation on YouTube.
• "Statistical analysis and Nexus workflows", Jaron Krogel. Presentation PDF. Recorded video presentation on YouTube.

Session 4 / Thursday July 10 / 11 am Eastern US time : Molecular Calculations

• Speakers: Amanda Dumi, Paul Kent
• "Demystifying QMC terminology", Paul Kent. Presentation PDF. Recorded video presentation on YouTube.
• "Molecular Calculations driven by Nexus", Amanda Dumi. Presentation PDF. Recorded video presentation on YouTube.

Session 5 / Tuesday July 15 / 11 am Eastern US time : Solid-State Calculations

• Speaker: Raymond Clay
• "QMC for solids", Raymond Clay. Presentation PDF. Recorded video presentation on YouTube.

Session 6 / Thursday July 17 / 11 am Eastern US time : Real-World Calculations

• Speakers: Hyeondeok Shin, Kayahan Saritas, Paul Kent
• "Molecular workflows: binding and formation energies", Paul Kent. Presentation PDF.Recorded video presentation on YouTube.
• "Structural and Optical Properties of GeSe Monochalcogenide from Quantum Monte Carlo Simulations", Hyeondeok Shin. Presentation PDF. Recorded video presentation on YouTube.
• "2D Materials Calculations", Kayahan Saritas Presentation PDF. Recorded video presentation on YouTube.

Session 7 / Tuesday July 22 / 11 am Eastern US time : Running on GPUs, Surrogate Hessian Geometry Optimization with STALK, School Wrap-Up

• Speakers: Ye Luo, Juha Tiihonen, Paul Kent
• "QMCPACK GPU Support", Ye Luo Presentation PDF. Recorded video presentation on YouTube.
• "Relaxation of atomic structures with STALK", Juha Tiihonen Presentation PDF. Recorded video presentation on YouTube.
• "Next steps / Ongoing Support", Paul Kent Presentation PDF.