Published February 22, 2024 | Version v1
Presentation Open

Webinar: TREX High Performance Software Solutions for Quantum Mechanical Simulations at the Exascale

  • 1. ROR icon French National Centre for Scientific Research
  • 2. ROR icon Max Planck Institute for Solid State Research
  • 3. ROR icon Lodz University of Technology
  • 4. ROR icon National Institute for Materials Science
  • 5. ROR icon University of Twente
  • 6. ROR icon Trust IT Services

Description

Over the last three years, the TREX flagship codes have undergone significant enhancements, and demonstrated substantial improvements in various aspects. The code optimisations and parallelization techniques implemented have led to significant performance gains, enabling more efficient simulations and reducing the time required for calculations. The enhanced codes also exhibit improved scalability, allowing for simulations on larger systems and the exploration of more complex chemical and physical phenomena.

This webinar guides participants through the ultimate results and developments of the TREX flagship QMC codes, and the open-source libraries optimised for the upcoming Exascale transition.

Visit this link and learn about the TREX flagship QMC codes and get the chance to get support from our HPC & QMC codes experts: https://trex-coe.eu/trex-quantum-chemistry-codes 

Files

CHAMP_TREXwebinar24_RShinde.pdf

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Additional details

Funding

TREX – Targeting Real chemical accuracy at the EXascale 952165
European Commission