TREX - Targeting Real chemical accuracy at the EXascale
Published September 29, 2023 | Version v1
Project deliverable Restricted

D2.6 – Report on Final Release of TREX Platform with Interoperable Flagship Codes

Creators

  • 1. ROR icon French National Centre for Scientific Research
  • 2. ROR icon University of Twente
  • 3. ROR icon Scuola Internazionale Superiore di Studi Avanzati
  • 4. ROR icon Lodz University of Technology
  • 5. ROR icon Max Planck Institute for Solid State Research

Description

The TREX project is a collaborative initiative aimed at enhancing Quantum Monte Carlo (QMC) simulations by developing and optimizing flagship codes tailored for exascale computing. This report provides a comprehensive overview of the advancements and achievements under Work Package (WP)2, Code Modularization and Interfacing, and highlights its essential role in accomplishing the TREX project’s primary objectives. The TREX project focuses on three key goals:

  1. Enhancement of accuracy and efficiency in QMC simulations.
  2. Facilitation of seamless integration between different QMC codes and libraries.
  3. Ensuring interoperability and data exchange capabilities across these codes.

Files

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Additional details

Funding

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