Published September 23, 2022 | Version v1
Poster Open

Leveraging stochastic electronic structure methods at the exascale

Description

The poster was presented at the Psi-k 2022 conference, August 22-25.

The poster presetns 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. Core of our software efforts is the creation of two libraries, the TREXIO and the quantum Monte Carlo kernel library (QMCkl).

Files

Leveraging stochastic electronic structure methods at the exascale_TREX.Landinez.pdf

Additional details

Funding

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