S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue MolSim 2016: Understanding Molecular SimulationsAmsterdam, The NetherlandsFriday, 8 January, 2016