QMC Workshop 2021

This repository contains the presented slides and example files for the Quantum Monte Carlo (QMC) Workshop 5 October - 23 November, 2021.

Official workshop site and registration.

Scripts and notes for building and using the VirtualBox machine image.

Latest QMCPACK manual and Source code on GitHub.

Presentations will be uploaded to YouTube throughout the workshop and linked here.

Week 1 / 5 October : Workshop Introduction and Kickoff

• Speaker: Paul Kent
• Slides PDF. Recorded presentation on YouTube

Week 2 / 12 October : Fundamentals of Quantum Monte Carlo

• Speaker: Paul Kent
• Slides PDF. Recorded presentation on YouTube

Week 3 / 19 October : Computational workflows with NEXUS. Statistical Analysis.

• Speaker: Jaron Krogel
• Slides PDF. Recorded presentation on YouTube

Week 4 / 26 October : Molecular Calculations

• Speaker: Anouar Benali
• Slides PDF. Recorded presentation on YouTube

Week 5 / 2 November : Solid-State Calculations

• Speaker: Joshua Townsend
• Slides PDF. Recorded presentation on YouTube

Week 6 / 9 November : Pseudopotentials in QMC. Observables

• Speakers: Lubos Mitas, Gani Annaberdiyev, and Chandler Bennett
• Pseudopotentials: Slides PDF #1 Slides PDF #2. Recorded presentation on YouTube
• Observables: Slides PDF. Recorded presentation on YouTube

Week 7 / 16 November : Research Presentations

• Speakers: Prof. Claudia Filippi, Prof. Can Ataca, Yueqing Chang.
• Recorded presentation on YouTube
• Ataca Slides PDF, Chang Slides PDF

Week 8 / 23 November : Spin-orbit Calculations. Workshop wrap-up and next steps

• Speakers: Cody Melton and Paul Kent
• Slides PDF, Wrap Up Slides PDF. Recorded presentation on YouTube