Martin Lísal
Martin Lísal
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Cited by
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
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), 134903, 2012
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 Škvor, J Jirsák, I Nezbeda, WR Smith
The Journal of Physical Chemistry B 115 (24), 7849-7861, 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
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
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
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
Alignment of lamellar diblock copolymer phases under shear: Insight from dissipative particle dynamics simulations
M Lísal, JK Brennan
Langmuir 23 (9), 4809-4818, 2007
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), 204105, 2011
The reaction ensemble method for the computer simulation of chemical and phase equilibria. II. The system
M Lısal, I Nezbeda, WR Smith
The Journal of chemical physics 110 (17), 8597-8604, 1999
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
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
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
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
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
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
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
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), 164905, 2006
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), 104501, 2016
Chemical reaction equilibrium in nanoporous materials: NO dimerization reaction in carbon slit nanopores
M Lísal, JK Brennan, WR Smith
The Journal of chemical physics 124 (6), 064712, 2006
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