MRChem group receives grant from the EuroHPC Joint Undertaking

The MRChem group obtained compute time funding through a EuroHPC Development Access Call for adapting their software MRChem to EuroHPC machines.

The MRChem group at the Hylleraas Annual Meeting in September 2025. All standing close together and close to the fjord with mountains in the background.

The MRChem group at the Hylleraas Annual Meeting in September 2025. Photo: Marco Bortoli, UiO

By Inga L. Schmidtke

Published Dec. 4, 2025

4th December 2025

Short presentation

Quantum chemistry is a very useful and routinely applied tool in chemical research, providing insight by modelling geometries, reaction mechanisms, molecular properties and more. Our software, MRChem, is a quantum chemistry code based on Multiwavelets which stands out by being capable of performing DFT calculations at very high precision due to the use of an adaptive grid and precise error control for each operation. With the advent of artificial intelligence and machine learning, it is of paramount importance to be able to provide such methods with precise and reliable reference data for training and validation.

From December 2025 until June 2026 the MRChem group will use the granted 1 million CPU hours on the MareNostrum5 cluster to fine tune the development of the parallelisation strategy of the MRChem software to adapt it to the EuroHPC machines.

Funding

Funded by https://www.eurohpc-ju.europa.eu/index_en on November 21st 2025.

Tags: Hylleraas Centre, MRChem Group, Multiwavelets, Basis Sets

Published Dec. 4, 2025 2:00 PM - Last modified Feb. 17, 2026 1:59 PM