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i-PI 2.0: a universal force engine for advanced molecular simulations by Kapil, V, Rossi, M, Marsalek, O, Petraglia, R, Litman, Y, Spura, T, Cheng, B, Cuzzocrea, A, Meißner, R, Wilkins, D, Helfrecht, B, Juda, P, Bienvenue, S, Fang, W, Kessler, J, Poltavsky, I, Vandenbrande, S, Wieme, J, Corminboeuf, C, Kühne, T, Manolopoulos, D, Markland, T, Richardson, J, Tkatchenko, A, Tribello, G, Van Speybroeck, V, Ceriotti, M
Published 2018Journal article