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Journal of Chemical Theory and Computation
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October 28, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
The Journal of Physical Chemistry. B
|
March 15, 2024
Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)
Sergei Izvekov, Matthew P Kroonblawd, James P Larentzos, et al.
Physical Review. E
|
July 17, 2021
Generalized energy-conserving dissipative particle dynamics revisited: Insight from the thermodynamics of the mesoparticle leading to an alternative heat flow model
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2019
Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
Journal of Chemical Theory and Computation
|
March 16, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions
Martin Lísal, James P Larentzos, Josep Bonet Avalos, et al.
The Journal of Chemical Physics
|
September 23, 2019
Dissipative particle dynamics with reactions: Application to RDX decomposition
Martin Lísal, James P Larentzos, Michael S Sellers, et al.
Journal of Chemical Theory and Computation
|
November 18, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations
Martin Lísal, Josep Bonet Avalos, James P Larentzos, et al.
Journal of Colloid and Interface Science
|
April 2, 2013
Temperature effects on alkaline earth metal ions adsorption on gibbsite: approaches from macroscopic sorption experiments and molecular dynamics simulations
Lynn E Katz, Louise J Criscenti, Chia-chen Chen, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials
John K Brennan, Martin Lísal, Joshua D Moore, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES). Part 1: ReaxFF models for cyclotrimethylene trinitramine (RDX) and 1,1-diamino-2,2-dinitroethene (FOX-7)
James P Larentzos, Betsy M Rice, Edward F C Byrd, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 28, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
The Journal of Physical Chemistry. B
|
March 15, 2024
Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)
Sergei Izvekov, Matthew P Kroonblawd, James P Larentzos, et al.
Physical Review. E
|
July 17, 2021
Generalized energy-conserving dissipative particle dynamics revisited: Insight from the thermodynamics of the mesoparticle leading to an alternative heat flow model
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 7, 2019
Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials
Josep Bonet Avalos, Martin Lísal, James P Larentzos, et al.
Journal of Chemical Theory and Computation
|
March 16, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions
Martin Lísal, James P Larentzos, Josep Bonet Avalos, et al.
The Journal of Chemical Physics
|
September 23, 2019
Dissipative particle dynamics with reactions: Application to RDX decomposition
Martin Lísal, James P Larentzos, Michael S Sellers, et al.
Journal of Chemical Theory and Computation
|
November 18, 2022
Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations
Martin Lísal, Josep Bonet Avalos, James P Larentzos, et al.
Journal of Colloid and Interface Science
|
April 2, 2013
Temperature effects on alkaline earth metal ions adsorption on gibbsite: approaches from macroscopic sorption experiments and molecular dynamics simulations
Lynn E Katz, Louise J Criscenti, Chia-chen Chen, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials
John K Brennan, Martin Lísal, Joshua D Moore, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES). Part 1: ReaxFF models for cyclotrimethylene trinitramine (RDX) and 1,1-diamino-2,2-dinitroethene (FOX-7)
James P Larentzos, Betsy M Rice, Edward F C Byrd, et al.
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of 3