Skip to content

Latest commit

 

History

History
60 lines (43 loc) · 1.91 KB

index.org

File metadata and controls

60 lines (43 loc) · 1.91 KB

Targeting chemical accuracy with quantum Monte Carlo on LUMI

./images/TREX-banner.jpg

QMC Hands-on Workshop: January 26 - 31, 2022

General information

Instructors and helpers

  • Claudia Filippi, University of Twente
  • Anthony Scemama, Université Paul Sabatier Toulouse III
  • Ravindra Shinde, University of Twente
  • Stuart Shepard, University of Twente
  • Edgar Landinez Borda, University of Twente
  • Victor Azizi, Netherlands eScience Center
  • Qiang Li, ENCCS
  • Thor Wikfeldt, ENCCS

Presentations

Hands-on

  1. Job script examples
  2. Introduction to Quantum Package
  3. Introduction to CHAMP
  4. Ground state QMC calculations
  5. Excited state calculations