Published March 20, 2023 | Version v1
Poster Open

Leveraging stochastic electronic structure methods at the exascale

  • 1. UVSQ
  • 2. CNRS


TREX is taking part in the EuroHPC Summit 2023 in Göteborg, Sweden, during the poster session on day 1 (20 March).

We present here the software development strategy and the current achievements of the European Centre of Excellence “Targeting Real chemical accuracy at the EXascale” (TREX). The main objective of TREX is the development of a user-friendly and open-source software suite in the domain of stochastic electronic structure simulations, which integrates a set of flagship quantum Monte Carlo codes within an interoperable, high-performance platform. The core of our software efforts is the creation of two libraries, the TREXIO and the quantum Monte Carlo kernel library (QMCkl).


EuroHPCSummit 2023- Poster TREX.pdf

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