An enhanced entangled polymer model for dissipative particle dynamics TW Sirk, YR Slizoberg, JK Brennan, M Lisal, JW Andzelm
The Journal of chemical physics 136 (13), 2012
144 2012 Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review C Heath Turner, JK Brennan, M Lisal, WR Smith, J Karl Johnson, ...
Molecular Simulation 34 (2), 119-146, 2008
132 2008 Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl F Moucka, M Lísal, J Skvor, J Jirsák, I Nezbeda, WR Smith
The Journal of Physical Chemistry B 115 (24), 7849-7861, 2011
109 2011 Accurate vapour–liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method M Lísal, WR Smith, I Nezbeda
Fluid Phase Equilibria 181 (1-2), 127-146, 2001
97 2001 Molecular simulation of shale gas adsorption onto overmature type II model kerogen with control microporosity L Michalec, M Lísal
Molecular Physics 115 (9-12), 1086-1103, 2017
92 2017 Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase M Lísal, WR Smith, J Kolafa
The Journal of Physical Chemistry B 109 (26), 12956-12965, 2005
78 2005 Dissipative particle dynamics at isothermal, isobaric, isoenergetic, and isoenthalpic conditions using Shardlow-like splitting algorithms M Lísal, JK Brennan, JB Avalos
The Journal of chemical physics 135 (20), 2011
76 2011 Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid F Moučka, M Lísal, WR Smith
The Journal of Physical Chemistry B 116 (18), 5468-5478, 2012
75 2012 Air–liquid interfaces of imidazolium-based [TF 2 N−] ionic liquids: insight from molecular dynamics simulations M Lísal, Z Posel, P Izák
Physical Chemistry Chemical Physics 14 (15), 5164-5177, 2012
74 2012 Alignment of lamellar diblock copolymer phases under shear: Insight from dissipative particle dynamics simulations M Lísal, JK Brennan
Langmuir 23 (9), 4809-4818, 2007
73 2007 A coarse-grain force field for RDX: Density dependent and energy conserving JD Moore, BC Barnes, S Izvekov, M Lísal, MS Sellers, DCE Taylor, ...
The Journal of Chemical Physics 144 (10), 2016
72 2016 Coarse-grain model simulations of nonequilibrium dynamics in heterogeneous materials JK Brennan, M Lísal, JD Moore, S Izvekov, IV Schweigert, JP Larentzos
The journal of physical chemistry letters 5 (12), 2144-2149, 2014
67 2014 Dissipative Particle Dynamics Study of the pH-Dependent Behavior of Poly(2-vinylpyridine)-block -poly(ethylene oxide) Diblock Copolymer in Aqueous Buffers Z Posel, Z Limpouchova, K Sindelka, M Lisal, K Prochazka
Macromolecules 47 (7), 2503-2514, 2014
65 2014 Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. I. Polydispersed polymer systems M Lísal, JK Brennan, WR Smith
The Journal of chemical physics 125 (16), 2006
64 2006 The reaction ensemble method for the computer simulation of chemical and phase equilibria. II. The M Lısal, I Nezbeda, WR Smith
The Journal of chemical physics 110 (17), 8597-8604, 1999
62 1999 Effect of short-and long-range forces on the properties of fluids. III. Dipolar and quadrupolar fluids J Kolafa, I Nezbeda, M Lísal
Molecular Physics 99 (20), 1751-1764, 2001
61 2001 Dissipative particle dynamics study of electrostatic self-assembly in aqueous mixtures of copolymers containing one neutral water-soluble block and one either positively or … K Šindelka, Z Limpouchová, M Lísal, K Procházka
Macromolecules 47 (17), 6121-6134, 2014
60 2014 Thermal properties of supercritical carbon dioxide by Monte Carlo simulations CM Colina, CG Olivera-Fuentes, FR Siperstein, M Lisal, KE Gubbins
Molecular Simulation 29 (6-7), 405-412, 2003
60 2003 Accurate computer simulation of phase equilibrium for complex fluid mixtures. Application to binaries involving isobutene, methanol, methyl tert-butyl ether, and n-butane M Lísal, WR Smith, I Nezbeda
The Journal of Physical Chemistry B 103 (47), 10496-10505, 1999
50 1999 Self-assembly of lamellar-and cylinder-forming diblock copolymers in planar slits: insight from dissipative particle dynamics simulations P Petrus, M Lísal, JK Brennan
Langmuir 26 (18), 14680-14693, 2010
44 2010 