Season's greetings from TREX, looking forward to another successful year together

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Season's greetings from TREX, looking forward to another successful year together

With another year coming to an end it's time to look back at the hard work we did to gather scientists, HPC experts, researchers, code developers and industry to develop, promote and maintain open-source high-performance software solutions in the field of quantum chemistry.

Click on the presents below to look at a selection of the most impactful events and scientific publications that TREX achieved in 2022 and discover what we have in store for you in 2023.

TCCM Winter School for advanced sciences of Luchon TREX Tutorials in Theoretical Chemistry

TREX takes part in this year's "TCCM Winter School for advanced sciences of Luchon: Tutorials in Theoretical Chemistry" with one session. Claudia Filippi (TREX Coordinator, University of Twente) and Anthony Scemama (Researcher, CNRS) will be presenting the Quantum Monte Carlo (QMC) methods in the context of European Commission-funded TREX CoE.

In the turorial chaired by the TREX Team participants will be able to learn:

To compute the energy without integrals.
How to perform an efficient stochastic sampling with Variational Monte Carlo.
How to implement a Diffusion Monte Carlo algorithm.
Embarrassingly parallel workloads

Registration will open soon

Targeting chemical accuracy with quantum Monte Carlo on LUMI

TREX, in conjunction with the ENCCS - EuroCC National Competence Center Sweden, is organising an online workshop to provide a comprehensive introduction to QMC methods and their practical application in molecular systems with the combined use of Quantum Package and the quantum Monte Carlo CHAMP code developed in the context of European Commission-funded TREX CoE.

Important Dates

Registration is open until 20 January 2023, 12:00 CET
Selected participants will be announced on 20 January 2023

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

The webinar is targeting the QMC community and current and potential users of QMC codes.
This webinar will guide participants through the TREX six different quantum chemistry codes, and the open-source libraries optimised for upcoming Exascale systems, ready to be integrated into quantum chemical codes which thus could benefit from the Exascale transition.

Important Dates
Registration is open until 07 February 2022

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The TREX: Targeting Real Chemical Accuracy at the Exascale project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165.

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