Quantum molecular modeling of complex molecular systems is an indispensable and integrated component in advanced material design, as such simulations provide a microscopic insight into the underlying physical processes. ENCCS and PDC will offer training on using the VeloxChem program package. We will highlight its efficient use on modern HPC architectures, such as the Dardel system at PDC and the pre-exascale supercomputer LUMI, 50% of which is available to academic users of the consortium states, including Sweden and Denmark.
Quantum molecular modeling of complex molecular systems is an indispensable and integrated component in advanced material design, as […]
We recently achieved two important objectives in our collaboration with VeloxChem: We helped port the code to compile […]
The new year starts with a progress update on the ergonomics aspects of the work of ENCCS with […]
Roberto Di Remigio has successfully secured a preparatory access PRACE allocation on the newly installed JUWELS Booster system for ENCCS work […]
