description:granularity level label: electronic materials modelling
description:granularity level label: atomistic materials modelling
description:granularity level label: mesoscopic materials modelling
description:granularity level label: continuum materials modelling
description:PE type A.1: Classical-mechanical density functional theory (atomistic)
description:PE type A.2: Molecular statics (atomistic), energy minimization
description:PE type A.3: Molecular dynamics (atomistic)