R.P. Feynman, Int. J. Theor. Phys. 21, 467 (1982)
Article
Google Scholar
D. Frenkel, J.-P. Hansen, Phys. World 9, 35 (1996)
Article
Google Scholar
W.F. van Gunsteren, A.E. Mark, J. Chem. Phys. 108, 6109 (1998)
Article
ADS
Google Scholar
W.G. Hoover, 50 Years of Computer Simulation -- a Personal View, arXiv:0812.2086v2 (2008)
M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987)
D. Frenkel, B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Elsevier, 2001)
M. Praprotnik, L. Delle Site, K. Kremer, Annu. Rev. Phys. Chem. 59, 545 (2008)
Article
ADS
Google Scholar
K. Kremer, Soft and fragile matter non equilibrium dynamics, metastability and flow, in SUSSP Proceedings Vol. 53 (IOP Publishing Ltd., 2000) pp. 145--184
A. Mulero (Editor), Theory and Simulation of Hard-Sphere Fluids and Related Systems (Springer, Berlin, Heidelberg, 2008)
K. Kremer, F. Müller-Plathe, MRS Bull. 26, 205 (2001)
Article
Google Scholar
R.E. Caflisch, G. Ceder, K. Kremer, T. Pollock, M. Scheffler, E.G. Wang (Editors), Focus on Novel Materials Discovery, New J. Phys. (IOP, 2013 and 2014)
C. Micheletti, P. Carloni, A. Maritan, Proteins 55, 635 (2004)
Article
Google Scholar
W.G. Noid, J. Chem. Phys. 139, 090901 (2013)
Article
ADS
Google Scholar
F. Pontiggia, A. Zen, C. Micheletti, Biophys. J. 95, 5901 (2008)
Article
ADS
Google Scholar
M. Karplus, J. McCammon, Nature 277, 578 (1979)
Article
ADS
Google Scholar
M. Karplus, Acc. Chem. Res. 35, 321 (2002)
Article
Google Scholar
A. Pérez, F.J. Luque, M. Orozco, Acc. Chem. Res. 45, 196 (2012)
Article
Google Scholar
P. Ballone, Entropy 16, 322 (2014)
Article
ADS
Google Scholar
J. Kirkwood, J. Chem. Phys. 3, 300 (1935)
Article
ADS
Google Scholar
P. Raiteri, A. Laio, F.L. Gervasio, C. Micheletti, M. Parrinello, J. Phys. Chem. B 110, 3533 (2006)
Article
Google Scholar
M.E. Tuckerman, Statistical Mechanics: Theory and Molecular Simulation (Oxford University Press, 2010)
M. Praprotnik, L. Delle Site, K. Kremer, Phys. Rev. E 73, 066701 (2006)
Article
ADS
Google Scholar
M. Praprotnik, L. Delle Site, K. Kremer, J. Chem. Phys. 126, 134902 (2007)
Article
ADS
Google Scholar
S. Fritsch, S. Poblete, C. Junghans, G. Ciccotti, L. Delle Site, K. Kremer, Phys. Rev. Lett. 108, 170602 (2012)
Article
ADS
Google Scholar
P. Español, R. Delgado-Buscalioni, R. Everaers, R. Potestio, D. Donadio, K. Kremer, J. Chem. Phys. 142, 064115 (2015)
Article
ADS
Google Scholar
A.C. Fogarty, R. Potestio, K. Kremer, J. Chem. Phys. 142, 195101 (2015)
Article
ADS
Google Scholar
A.C. Fogarty, R. Potestio, K. Kremer, Proteins 84, 1902 (2016)
Article
Google Scholar
R. Fiorentini, K. Kremer, R. Potestio, A.C. Fogarty, J. Chem. Phys. 146, 244113 (2017)
Article
ADS
Google Scholar
T. Tarenzi, V. Calandrini, R. Potestio, A. Giorgetti, P. Carloni, J. Chem. Theory Comput. 13, 5647 (2017)
Article
Google Scholar
R. Potestio, S. Fritsch, P. Español, R. Delgado-Buscalioni, K. Kremer, R. Everaers, D. Donadio, Phys. Rev. Lett. 110, 108301 (2013)
Article
ADS
Google Scholar
R. Potestio, P. Español, R. Delgado-Buscalioni, R. Everaers, K. Kremer, D. Donadio, Phys. Rev. Lett. 111, 060601 (2013)
Article
ADS
Google Scholar
M. Heidari, K. Kremer, R. Cortes-Huerto, R. Potestio, Spatially resolved thermodynamic integration: An efficient method to compute chemical potentials of dense fluids, arXiv:1802.08045, submitted to J. Chem. Theory Comput
K. Kreis, A.C. Fogarty, K. Kremer, R. Potestio, Eur. Phys. J. ST 224, 2289 (2015)
Article
Google Scholar
M. Praprotnik, L. Delle Site, K. Kremer, J. Chem. Phys. 123, 224106 (2005)
Article
ADS
Google Scholar
J. Zavadlav, R. Podgornik, M. Melo, S. Marrink, M. Praprotnik, Eur. Phys. J. ST 225, 1595 (2016)
Article
Google Scholar
K. Kreis, R. Potestio, K. Kremer, A.C. Fogarty, J. Chem. Theory Comput. 12, 4067 (2016)
Article
Google Scholar
M. Heidari, R. Cortes-Huerto, D. Donadio, R. Potestio, Eur. Phys. J. ST 225, 1505 (2016)
Article
Google Scholar
D. Wolf, P. Keblinski, S.R. Phillpot, J. Eggebrecht, J. Chem. Phys. 110, 8254 (1999)
Article
ADS
Google Scholar
C.J. Fennell, J.D. Gezelter, J. Chem. Phys. 124, 234104 (2006)
Article
ADS
Google Scholar
H.J.C. Berendsen, J.R. Grigera, T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987)
Article
Google Scholar
L.X. Dang, B.M. Pettitt, J. Phys. Chem. 91, 3349 (1987)
Article
Google Scholar
Y. Wu, H.L. Tepper, G.A. Voth, J. Chem. Phys. 124, 024503 (2006)
Article
ADS
Google Scholar
S. Plimpton, J. Comput. Phys. 117, 1 (1995)
Article
ADS
Google Scholar
J.D. Halverson, T. Brandes, O. Lenz, A. Arnold, S. Bevc, V. Starchenko, K. Kremer, T. Stuehn, D. Reith, Comput. Phys. Commun. 184, 1129 (2013)
Article
ADS
Google Scholar
K. Kreis, A.C. Fogarty, K. Kremer, R. Potestio, Eur. Phys. J. ST 224, 2289 (2015)
Article
Google Scholar
J. Kohanoff, Comput. Mater. Sci. 2, 221 (1994)
Article
Google Scholar
F. Pavia, W.A. Curtin, Model. Simul. Mater. Sci. Eng. 23, 055002 (2015)
Article
ADS
Google Scholar
R. Rudd, J. Broughton, Phys. Status Solidi B: Basic Res. 217, 251 (2000)
Article
ADS
Google Scholar
J. Rottler, S. Barsky, M.O. Robbins, Phys. Rev. Lett. 89, 148304 (2002)
Article
ADS
Google Scholar
G. Csanyi, T. Albaret, M.C. Payne, A.D. Vita, Phys. Rev. Lett. 93, 175503 (2004)
Article
ADS
Google Scholar
D. Jiang, E.A. Carter, Acta Mater. 52, 4801 (2004)
Article
Google Scholar
G. Lu, E.B. Tadmor, E. Kaxiras, Phys. Rev. B 73, 024108 (2006)
Article
ADS
Google Scholar
D. Frenkel, A.J.C. Ladd, J. Chem. Phys. 81, 3188 (1984)
Article
ADS
Google Scholar
J.M. Polson, E. Trizac, S. Pronk, D. Frenkel, J. Chem. Phys. 112, 5339 (2000)
Article
ADS
Google Scholar
M.A. van der Hoef, J. Chem. Phys. 113, 8142 (2000)
Article
ADS
Google Scholar
C. Vega, E.G. Noya, J. Chem. Phys. 127, 154113 (2007)
Article
ADS
Google Scholar