Articles with public access mandates - Martin LísalLearn more
Not available anywhere: 15
Saturated aqueous NaCl solution and pure water in Na-montmorillonite clay at thermodynamic conditions of hydraulic fracturing: Thermodynamics, structure and diffusion from …
M Svoboda, F Moučka, M Lisal
Journal of Molecular Liquids 271, 490-500, 2018
Mandates: European Commission
Methane and carbon dioxide in dual‐porosity organic matter: Molecular simulations of adsorption and diffusion
E Rezlerová, JK Brennan, M Lísal
AIChE Journal 67 (3), e16655, 2021
Mandates: European Commission
Simulation of high Schmidt number fluids with dissipative particle dynamics: Parameter identification and robust viscosity evaluation
N Lauriello, J Kondracki, A Buffo, G Boccardo, M Bouaifi, M Lisal, ...
Physics of Fluids 33 (7), 2021
Mandates: European Commission
Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite
F Moučka, J Kolafa, M Lísal, WR Smith
The Journal of Chemical Physics 148 (22), 2018
Mandates: Natural Sciences and Engineering Research Council of Canada, European Commission
Molecular force field development for aqueous electrolytes: 2. Polarizable models incorporating crystalline chemical potential and their accurate simulations of halite …
J Dockal, M Lísal, F Moucka
Journal of Chemical Theory and Computation 16 (6), 3677-3688, 2020
Mandates: European Commission
A general hydrogen bonding definition based on three-dimensional spatial distribution functions and its extension to quantitative structural analysis of solutions and general …
J Dočkal, M Svoboda, M Lísal, F Moučka
Journal of Molecular Liquids 281, 225-235, 2019
Mandates: European Commission
Generalized energy-conserving dissipative particle dynamics with reactions
M Lisal, JP Larentzos, JB Avalos, AD Mackie, JK Brennan
Journal of Chemical Theory and Computation 18 (4), 2503-2512, 2022
Mandates: US Department of Defense
Coarse-grain modelling using an equation-of-state many-body potential: application to fluid mixtures at high temperature and high pressure
JP Larentzos, JM Mansell, M Lísal, JK Brennan
Molecular Physics 116 (21-22), 3271-3282, 2018
Mandates: US Department of Defense
Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations
M Svoboda, M Lísal
The Journal of Chemical Physics 148 (22), 2018
Mandates: European Commission
Interplay between surfactant self-assembly and adsorption at hydrophobic surfaces: Insights from dissipative particle dynamics
K Šindelka, M Lisal
Molecular Physics 119 (15-16), e1857863, 2021
Mandates: European Commission
Onion micelles with an interpolyelectrolyte complex middle layer: Experimental motivation and computer study
RK Raya, M Štěpánek, Z Limpouchová, K Procházka, M Svoboda, ...
Macromolecules 53 (16), 6780-6795, 2020
Mandates: European Commission
Molecular dynamics of aqueous salt solutions in clay nanopores under the thermodynamic conditions of hydraulic fracturing: Interplay between solution structure and molecular …
B Planková, M Lísal
Fluid Phase Equilibria 505, 112355, 2020
Mandates: European Commission
Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics
K Šindelka, A Kowalski, M Cooke, C Mendoza, M Lísal
Journal of Molecular Liquids 375, 121385, 2023
Mandates: European Commission
Structural properties of cationic surfactant-fatty alcohol bilayers: Insights from dissipative particle dynamics
M Svoboda, A Kowalski, M Cooke, C Mendoza, M Lísal
Soft Matter 17 (43), 9967-9984, 2021
Mandates: European Commission
Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations
J Díaz, M Soltau, M Lísal, P Carbone, I Pagonabarraga
Physical Chemistry Chemical Physics 24 (19), 11992-12001, 2022
Mandates: Swiss National Science Foundation, European Commission, Government of Spain
Available somewhere: 18
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
Mandates: European Commission
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
Mandates: Government of Spain
Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model
MS Sellers, M Lísal, JK Brennan
Physical Chemistry Chemical Physics 18 (11), 7841-7850, 2016
Mandates: US Department of Energy
Ontologies for the virtual materials marketplace
MT Horsch, S Chiacchiera, MA Seaton, IT Todorov, K Šindelka, M Lísal, ...
KI-Künstliche Intelligenz 34, 423-428, 2020
Mandates: European Commission
Generalised dissipative particle dynamics with energy conservation: Density-and temperature-dependent potentials
JB Avalos, M Lísal, JP Larentzos, AD Mackie, JK Brennan
Physical Chemistry Chemical Physics 21 (45), 24891-24911, 2019
Mandates: US Department of Defense, Government of Spain
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