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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

Week 5 / 2 November : Solid-State Calculations

Week 6 / 9 November : Pseudopotentials in QMC. Observables

Week 7 / 16 November : Research Presentations

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

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  • Python 87.7%
  • Shell 9.0%
  • Gnuplot 3.3%