Files for QMC Workshop 2021

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Miscellaneous qmc_workshop_2021
Overview

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

Week 2 / 12 October : Fundamentals of Quantum Monte Carlo

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

Week 4 / 26 October : Molecular Calculations

  • Speaker: Anouar Benali
  • Link to slides. Link to YouTube

Week 5 / 2 November : Solid-State Calculations

  • Speaker: Joshua Townsend
  • Link to slides. Link to YouTube

Week 6 / 9 November : Pseudopotentials in QMC. Observables

  • Speakers: Lubos Mitas, Gani Annaberdiyev, and Chandler Bennett
  • Link to slides. Link to YouTube

Week 7 / 16 November : Guest lecture and Research Presentations

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

  • Speakers: Cody Melton and Paul Kent
  • Link to slides. Link to YouTube
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Comments
  • Adding preliminary files for Week 6

    Adding preliminary files for Week 6

    Week 6 preliminary files which are very close to being finished. Any comments will be appreciated.

    The desktop workflow.py version of the Sc example is missing due to a possible bug in Nexus.

    opened by aannabe 1
Owner
QMCPACK
Open-source many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
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