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- 1.0583500 - ÚCHP 2025 RIV US eng J - Journal Article
Rezlerová, Eliška - Moučka, Filip - Předota, M. - Lísal, Martin
Structure and self-diffusivity of mixed-cation electrolytes between neutral and charged graphene sheets.
Journal of Chemical Physics. Roč. 160, č. 9 (2024), č. článku 094701. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0351469 - 2.0580367 - ÚCHP 2025 RIV GB eng J - Journal Article
Malaspina, D.C. - Lísal, Martin - Larentzos, J.P. - Brennan, J.K. - Mackie, A.D. - Bonet Avalos, J.
Green–Kubo expressions for transport coefficients from dissipative particle dynamics simulations revisited.
Physical Chemistry Chemical Physics. Roč. 26, č. 2 (2024), s. 1328-1339. ISSN 1463-9076. E-ISSN 1463-9084
Grant - others:ARO(US) W911NF-20-2-0227; ARO(US) W911NF-20-2-0203
Institutional support: RVO:67985858
Keywords : conservative * dissipative and random interactions * Einstein–Helfand formulas * stress tensor
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0349155File Download Size Commentary Version Access 0580367.pdf 0 1.2 MB Publisher’s postprint require - 3.0579659 - ÚCHP 2025 RIV NL eng J - Journal Article
Dočkal, Jan - Mimrová, P. - Lísal, Martin - Moučka, Filip
Structure of aqueous alkali metal halide electrolyte solutions from molecular simulations of phase-transferable polarizable models.
Journal of Molecular Liquids. Roč. 394, 15 Jan (2024), č. článku 123797. ISSN 0167-7322. E-ISSN 1873-3166
Institutional support: RVO:67985858
Keywords : alkali halide * molecular simulation * solution
OECD category: Physical chemistry
Impact factor: 6, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0348473File Download Size Commentary Version Access 0579659.pdf 1 1.7 MB Author’s postprint require - 4.0574327 - ÚCHP 2024 RIV GB eng J - Journal Article
Rezlerová, Eliška - Moučka, Filip - Předota, M. - Lísal, Martin
Structure and self-diffusivity of alkali-halide electrolytes in neutral and charged graphene nanochannels.
Physical Chemistry Chemical Physics. Roč. 25, č. 32 (2023), s. 21579-21594. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
Keywords : electric-double layer * rutile 110 surface * molecular-dynamics
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0344668File Download Size Commentary Version Access pccp_25_21579-21594_2023.pdf 1 4.4 MB Publisher’s postprint require - 5.0573777 - ÚCHP 2024 RIV NL eng J - Journal Article
Lauriello, N. - Boccardo, G. - Marchisio, D. - Lísal, Martin - Buffo, A.
Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: Application to simple fluids.
Computer Physics Communications. Roč. 291, OCT 23 (2023), č. článku 108843. ISSN 0010-4655. E-ISSN 1879-2944
Institutional support: RVO:67985858
Keywords : automated algorithm * dissipative particle dynamics * Green-Kubo formula
OECD category: Physical chemistry
Impact factor: 6.2, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0344137File Download Size Commentary Version Access 0573777.pdf 2 1.9 MB Publisher’s postprint require - 6.0572687 - ÚCHP 2024 RIV NL eng J - Journal Article
Matysová, P. - Lísal, Martin - Moučka, Filip
Molecular simulations of alkali metal halide hydrates.
Journal of Molecular Liquids. Roč. 384, 15 August (2023), č. článku 122197. ISSN 0167-7322. E-ISSN 1873-3166
Institutional support: RVO:67985858
Keywords : hydrate * alkali halide * molecular simulation
OECD category: Physical chemistry
Impact factor: 6, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0343298File Download Size Commentary Version Access 0572687.pdf 0 4.5 MB Publisher’s postprint require - 7.0571358 - ÚCHP 2024 RIV GB eng J - Journal Article
Malaspina, D.C. - Lísal, Martin - Larentzos, J.P. - Brennan, J.K. - Mackie, A.D. - Avalos, J.B.
Transport coefficients from Einstein–Helfand relations using standard and energy-conserving dissipative particle dynamics methods.
Physical Chemistry Chemical Physics. Roč. 25, č. 17 (2023), s. 12025-12040. ISSN 1463-9076. E-ISSN 1463-9084
Grant - others:ARF(ES) W911NF-20-2-0227; ARF(ES) W911NF-20-2-0203; ERDF(ES) PID2021-122187NB-C33
Institutional support: RVO:67985858
Keywords : molecular dynamics * irreversible processes * statistical-mechanics
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0342599File Download Size Commentary Version Access pccp_25_12025-12040_2023.pdf 0 2.5 MB Publisher’s postprint require - 8.0568193 - ÚCHP 2024 RIV NL eng J - Journal Article
Šindelka, Karel - Kowalski, A. - Cooke, M. - Mendoza, C. - Lísal, Martin
Interactions of cationic surfactant-fatty alcohol monolayers with natural human hair surface: Insights from dissipative particle dynamics.
Journal of Molecular Liquids. Roč. 375, 1 April (2003), č. článku 121385. ISSN 0167-7322. E-ISSN 1873-3166
EU Projects: European Commission(XE) 760907 - VIMPP
Institutional support: RVO:67985858
Keywords : desorption * Fluid and gel adsorbed layers * shear
OECD category: Physical chemistry
Impact factor: 0.699, year: 2003
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0339523File Download Size Commentary Version Access 0568193.pdf 0 5.5 MB Author’s postprint require - 9.0565270 - ÚCHP 2024 RIV US eng J - Journal Article
Rezlerová, E. - Jain, S.K. - Lísal, Martin
Adsorption, Diffusion, and Transport of C1 to C3 Alkanes and Carbon Dioxide in Dual-Porosity Kerogens: Insights from Molecular Simulations.
Energy and Fuels. Roč. 37, č. 1 (2023), s. 492-508. ISSN 0887-0624. E-ISSN 1520-5029
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
Keywords : electric double-layer * rutile 110 surface * shale gas
OECD category: Physical chemistry
Impact factor: 5.3, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0336840File Download Size Commentary Version Access 0565270.pdf 0 4.9 MB Author’s postprint open-access - 10.0564941 - ÚCHP 2023 RIV US eng J - Journal Article
Lísal, Martin - Avalos, J.B. - Larentzos, J.P. - Mackie, A.D. - Brennan, J.K.
Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations.
Journal of Chemical Theory and Computation. Roč. 18, č. 12 (2022), s. 7653-7670. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA21-27338S
EU Projects: European Commission(XE) 760907 - VIMPP
Grant - others:ARO(US) W911NF-20-2-0227; ARO(US) W911NF-20-2-0203; SM(ES) PRX19/00162
Institutional support: RVO:67985858
Keywords : high-temperature * simulation * conservation
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0336521File Download Size Commentary Version Access 0564941.pdf 4 7.1 MB Publisher’s postprint open-access