Horsch, M.T.M.T.HorschChiacchiera, S.S.ChiacchieraCavalcanti, W.L.W.L.CavalcantiSchembera, B.B.Schembera2022-03-062022-03-062021https://publica.fraunhofer.de/handle/publica/26834310.1007/978-3-030-68597-3_4In this Chapter we discuss the role of ontologies for simulations, in the context of materials modelling in general and of molecular particle-based methods in particular. After a brief overview of the literature and possible applications, we present the VIMMP ontologies that allow to describe software capabilities and to further specify the various algorithms via the involved variables: the VImmp Ontology of Software (VISO) and the Vimmp Ontology of Variables (VOV).en620660671book article