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

  • Michele Casula (Creator)
  • Ali Alavi (Creator)
  • Katarzyna Pernal (Creator)
  • Kosuke Nakano (Creator)
  • Abdallabh Ammar (Creator)
  • Ravindra Laxman Shinde (Creator)
  • Emmanuel Giner (Creator)
  • Sara Pittonet (Creator)

Dataset

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
Date made available22 Feb 2024
PublisherZenodo

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