Classical and ab-initio Molecular Dynamics of molecular and/or ionic systems
Scientists from Institute of Accelerating Systems & Applications (IASA) have used the HellasGrid Infrastructure and the EGI Grid, in order to prepare the equilibrated systems to be used in the context of PRACE European project (Work Package 7.4 “Benchmarking” framework). In order to have a good estimation of performance and scaling up to...



