L. Vanduyfhuys, S. Vandenbrande, T. Verstraelen, R. Schmid, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Workshop on Force Fields: From Atoms to MaterialsJülich, GermanyMonday, 3 November, 2014 to Wednesday, 5 November, 2014