The calculus/simulation activity has been growing for the last years. The regional cluster ARTEMIS hosted in ISTO lab is very helpfull aswell as the CEMHTI own mini-cluster (MEDEa) and the virualization solutions (VSphere) that CEMHTI bought.
We are able to provide virtual machines emulated under VSphere to optimize the entry files necessary for the different codes used (PIM, VASP, CASTEP, ...) in order to perform molecular dynamic calculus for instance.
The transverse axe in-situ in-silico was created to centralize the tools and knowledge around these activities.
You can find help about different calculus codes, script examples showing how to launch calculation on the Regional Cluster ARTEMIS here
contact : calcul.cemhti@cnrs-orleans.fr
François Vivet