Publications by authors named "James P Larentzos"

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Density- and Temperature-Dependent Potentials: Redefinition of the Local Density to Improve the Simulation of Liquids within Generalized Dissipative Particle Dynamics.
Giuseppe Colella, James P Larentzos, Fernando Bresme, Josep Bonet Avalos

J Chem Theory Comput· December 2025

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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, John K Brennan, Betsy M Rice

J Phys Chem B· March 2024

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A coarse-grain reactive model of RDX: Molecular resolution at the μm scale.
Brian H Lee, Michael N Sakano, James P Larentzos, John K Brennan, Alejandro Strachan

J Chem Phys· January 2023

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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm.
Josep Bonet Avalos, Martin Lísal, James P Larentzos, Allan D Mackie, John K Brennan

J Chem Theory Comput· December 2022

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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations.
Martin Lísal, Josep Bonet Avalos, James P Larentzos, Allan D Mackie, John K Brennan

J Chem Theory Comput· December 2022

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Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions.
Martin Lísal, James P Larentzos, Josep Bonet Avalos, Allan D Mackie, John K Brennan

J Chem Theory Comput· April 2022

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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, Allan D Mackie, John K Brennan

Phys Rev E· June 2021

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Heuristics for chemical species identification in dense systems.
Betsy M Rice, William D Mattson, James P Larentzos, Edward F C Byrd

J Chem Phys· August 2020

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Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials.
Josep Bonet Avalos, Martin Lísal, James P Larentzos, Allan D Mackie, John K Brennan

Phys Chem Chem Phys· December 2019

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Dissipative particle dynamics with reactions: Application to RDX decomposition.
Martin Lísal, James P Larentzos, Michael S Sellers, Igor V Schweigert, John K Brennan

J Chem Phys· September 2019

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Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane.
James P Larentzos, Betsy M Rice

J Phys Chem A· March 2017

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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, N Scott Weingarten, James V Lill

J Chem Theory Comput· February 2015

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Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES): Part 2: transferability of ReaxFF models to C-H-N-O energetic materials.
Betsy M Rice, James P Larentzos, Edward F C Byrd, N Scott Weingarten

J Chem Theory Comput· February 2015

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Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials.
John K Brennan, Martin Lísal, Joshua D Moore, Sergei Izvekov, Igor V Schweigert, James P Larentzos

J Phys Chem Lett· June 2014

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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, James P Larentzos, Howard M Liljestrand

J Colloid Interface Sci· June 2013

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Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates.
Jeffery A Greathouse, Justin S Durkin, James P Larentzos, Randall T Cygan

J Chem Phys· April 2009

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A molecular dynamics study of alkaline earth metal-chloride complexation in aqueous solution.
James P Larentzos, Louise J Criscenti

J Phys Chem B· November 2008

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Aqueous divalent metal-nitrate interactions: hydration versus ion pairing.
Man Xu, James P Larentzos, Mazen Roshdy, Louise J Criscenti, Heather C Allen

Phys Chem Chem Phys· August 2008

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Experimental and theoretical methods to investigate extraframework species in a layered material of dodecaniobate anions.
May Nyman, James P Larentzos, Edward J Maginn, Margaret E Welk, David Ingersoll

Inorg Chem· March 2007

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Synthesis, structural characterization, and molecular modeling of dodecaniobate keggin chain materials.
François Bonhomme, James P Larentzos, Todd M Alam, Edward J Maginn, May Nyman

Inorg Chem· March 2005

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