Search results
- 1.0508669 - ÚCHP 2020 RIV US eng J - Journal Article
Lísal, Martin - Larentzos, J.P. - Sellers, M.S. - Schweigert, I.V. - Brennan, J.K.
Dissipative Particle Dynamics with Reactions: Application to RDX Decomposition.
Journal of Chemical Physics. Roč. 151, č. 11 (2019), č. článku 114112. ISSN 0021-9606. E-ISSN 1089-7690
Grant - others:ARL(US) W911NF-10-2-0039; ONR(US) N0001419WX00806; ONR(US) BAA No. 12-001
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * product gas mixture * cyclotrimethylene trinitramine
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0299814File Download Size Commentary Version Access 0508669.pdf 8 2.5 MB Author’s postprint require - 2.0461336 - ÚCHP 2017 RIV GB eng J - Journal Article
Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Free-energy Calculations Using Classical Molecular Simulation: Application to the Determination of the Melting Point and Chemical Potential of a Flexible RDX Model.
Physical Chemistry Chemical Physics. Roč. 18, č. 11 (2016), s. 7841-7850. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : solid-liquid coexistence * atomistic simulation * dynamics simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260953File Download Size Commentary Version Access 17799.pdf 1 1.9 MB Publisher’s postprint open-access - 3.0461335 - ÚCHP 2017 RIV US eng J - Journal Article
Moore, J.D. - Barnes, B.C. - Izvekov, S. - Lísal, Martin - Sellers, M.S. - Taylor, D.E. - Brennan, J.K.
A Coarse-grain Force Field for RDX: Density Dependent and Eergy Conserving.
Journal of Chemical Physics. Roč. 144, č. 10 (2016), s. 104501. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * cyclotrimethylele-trinitramine * biomolecular systems
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.965, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260950File Download Size Commentary Version Access SKMBT_C22016072811370.pdf 2 7.3 MB Publisher’s postprint open-access - 4.0443532 - ÚCHP 2016 RIV GB eng J - Journal Article
Sellers, M.S. - Lísal, Martin - Brennan, J.K.
Exponential-Six Potential Scaling for the Calculation of Tree Energies in Molecular Simulations.
Molecular Physics. Roč. 113, č. 1 (2015), s. 45-54. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA MŠMT LH12020
Grant - others:US ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : exponential-six potential * free energy * potential scaling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.837, year: 2015
Permanent Link: http://hdl.handle.net/11104/0246230File Download Size Commentary Version Access 0443532.pdf 2 8 MB Author’s postprint open-access - 5.0431075 - ÚCHP 2015 RIV US eng J - Journal Article
Brennan, J.K. - Lísal, Martin - Moore, J.D. - Izvekov, S. - Schweigert, I.V. - Larentzos, J.P.
Coarse-Grain model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials.
Journal of Physical Chemistry Letters. Roč. 5, č. 12 (2014), s. 2144-2149. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GA13-02938S
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * energy-conservation * molecular-dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 7.458, year: 2014
Permanent Link: http://hdl.handle.net/11104/0235711File Download Size Commentary Version Access SKMBT_C22014082908300.pdf 8 3.5 MB Publisher’s postprint require - 6.0429220 - ÚCHP 2015 RIV NL eng J - Journal Article
Larentzos, J.P. - Brennan, J.K. - Moore, J.D. - Lísal, Martin - Mattson, w.D.
Parallel Implementation of Isothermal and Isoenergetic Dissipative Particle Dynamics using Shardlow-like Splitting Algorithms.
Computer Physics Communications. Roč. 185, č. 7 (2014), s. 1987-1998. ISSN 0010-4655. E-ISSN 1879-2944
Grant - others:ARL(US) W911NF-10-2-0039
Institutional support: RVO:67985858
Keywords : dissipative particle dynamics * shardlow splitting algorithm * numerical integration
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.112, year: 2014
Permanent Link: http://hdl.handle.net/11104/0234794File Download Size Commentary Version Access 0429220.pdf 0 5 MB Publisher’s postprint open-access - 7.0368353 - ÚCHP 2012 RIV US eng J - Journal Article
Lísal, Martin - Brennan, J.K. - Bonet Avalos, J.
Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms.
Journal of Chemical Physics. Roč. 135, č. 20 (2011), s. 204105. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:ARL(US) W911NF-10-2-0039; MECSG(ES) CTQ2008-06469; GA UJEP(CZ) 53222 15 0005 01
Institutional research plan: CEZ:AV0Z40720504
Keywords : dissipative particle dynamics * Shardlow-splitting algorithm * coarse-grain model
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.333, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202723 - 8.0348298 - ÚCHP 2011 RIV US eng J - Journal Article
Petrus, P. - Lísal, Martin - Brennan, J.K.
Self-Assembly of Lamellar- and Cylinder-Forming Diblock Copolymers in Planar Slits: Insight from Dissipative Particle Dynamics Simulations.
Langmuir. Roč. 26, č. 18 (2010), s. 14680-14693. ISSN 0743-7463
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802/OC10053; ARL(US) W911NF-10-2-0039
Institutional research plan: CEZ:AV0Z40720504
Keywords : diblock copolymer * particle dynamics simulation * nanostructure formation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.269, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006043