Published May 22, 2024 | Version v1
Conference paper Open

Building Quantum Monte Carlo and High-Performance Simulations: Insights from the TREX Symposium

Description

From 5 to 9 February 2024 the TREX Center of Excellence in Exascale Computing organised the "Bridging Quantum Monte Carlo and High-Performance Simulations" Symposium in Esch-sur-Alzette, Luxembourg. Experts from across Europe and oversea converged to celebrate the project's achievements, discuss ongoing challenges and latest developments in QMC methods, also in relation to high-performance computing (HPC).

The TREX Symposium highlighted both the immense potential and significant challenges of scaling QMC methods to the power of exascale computing. Topics included material simulations with QMC, method developments, HPC implementations, machine learning for QMC, trans-correlated methods, and more. The event also featured practical demonstrations showcasing the progress of TREX codes and libraries, including QMCkl and TREXIO.

The main e highlights from these intense and stimulating days are collected into a report for the entire TREX community.

Speakers’ presentations are available on the event page. https://trex-coe.eu/events/bridging-quantum-monte-carlo-and-high-performance-simulations

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TREX Symposium (Final Event in Luxembourg).pdf

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Additional details

Funding

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