On the simulation of vapor–liquid equilibria for alkanes SK Nath, FA Escobedo, JJ de Pablo The Journal of chemical physics 108 (23), 9905-9911, 1998 | 537 | 1998 |
Mesophase behaviour of polyhedral particles U Agarwal, FA Escobedo Nature materials 10 (3), 230-235, 2011 | 357 | 2011 |
Expanded grand canonical and Gibbs ensemble Monte Carlo simulation of polymers FA Escobedo, JJ de Pablo The Journal of chemical physics 105 (10), 4391-4394, 1996 | 240 | 1996 |
Extended continuum configurational bias Monte Carlo methods for simulation of flexible molecules FA Escobedo, JJ de Pablo The Journal of Chemical Physics 102 (6), 2636-2652, 1995 | 155 | 1995 |
Phase behavior of rounded hard-squares C Avendano, FA Escobedo Soft Matter 8 (17), 4675-4681, 2012 | 143 | 2012 |
Monte Carlo simulation of the chemical potential of polymers in an expanded ensemble FA Escobedo, JJ de Pablo The Journal of chemical physics 103 (7), 2703-2710, 1995 | 143 | 1995 |
Simulation of phase transitions in fluids JJ de Pablo, Q Yan, FA Escobedo Annual review of physical chemistry 50 (1), 377-411, 1999 | 134 | 1999 |
Revealing the atomic ordering of binary intermetallics using in situ heating techniques at multilength scales Y Xiong, Y Yang, H Joress, E Padgett, U Gupta, V Yarlagadda, ... Proceedings of the National Academy of Sciences 116 (6), 1974-1983, 2019 | 121 | 2019 |
Simulation and prediction of vapour-liquid equilibria for chain molecules FA Escobedo, JJ De Pablo Molecular Physics 87 (2), 347-366, 1996 | 121 | 1996 |
Phase behavior of colloidal hard perfect tetragonal parallelepipeds BS John, C Juhlin, FA Escobedo The Journal of chemical physics 128 (4), 2008 | 119 | 2008 |
Transition path sampling and forward flux sampling. Applications to biological systems FA Escobedo, EE Borrero, JC Araque Journal of Physics: Condensed Matter 21 (33), 333101, 2009 | 112 | 2009 |
Simulation of the gyroid phase in off-lattice models of pure diblock copolymer melts FJ Martinez-Veracoechea, FA Escobedo The Journal of chemical physics 125 (10), 2006 | 109 | 2006 |
Influence of side-chain chemistry on structure and ionic conduction characteristics of polythiophene derivatives: a computational and experimental study BX Dong, C Nowak, JW Onorato, J Strzalka, FA Escobedo, CK Luscombe, ... Chemistry of Materials 31 (4), 1418-1429, 2019 | 104 | 2019 |
Molecular simulations of wetting of a rough surface by an oily fluid: effect of topology, chemistry, and droplet size on wetting transition rates ES Savoy, FA Escobedo Langmuir 28 (7), 3412-3419, 2012 | 98 | 2012 |
Molecular simulation of polymeric networks and gels: phase behavior and swelling FA Escobedo, JJ De Pablo Physics reports 318 (3), 85-112, 1999 | 95 | 1999 |
Phase behavior of colloidal hard tetragonal parallelepipeds (cuboids): A Monte Carlo simulation study BS John, FA Escobedo The Journal of Physical Chemistry B 109 (48), 23008-23015, 2005 | 94 | 2005 |
Reaction coordinates and transition pathways of rare events via forward flux sampling EE Borrero, FA Escobedo The Journal of chemical physics 127 (16), 2007 | 90 | 2007 |
Lattice Monte Carlo simulations of the gyroid phase in monodisperse and bidisperse block copolymer systems FJ Martínez-Veracoechea, FA Escobedo Macromolecules 38 (20), 8522-8531, 2005 | 87 | 2005 |
Cubatic liquid-crystalline behavior in a system of hard cuboids BS John, A Stroock, FA Escobedo The Journal of chemical physics 120 (19), 9383-9389, 2004 | 85 | 2004 |
Monte Carlo simulation of branched and crosslinked polymers FA Escobedo, JJ de Pablo The Journal of chemical physics 104 (12), 4788-4801, 1996 | 85 | 1996 |