Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations-Reference-Cited by-同舟云学术

Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations

Published:2022-11-18 Issue:12 Volume:18 Page:7653-7670
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lísal Martin¹²^ORCID,Avalos Josep Bonet³^ORCID,Larentzos James P.⁴^ORCID,Mackie Allan D.³^ORCID,Brennan John K.⁴^ORCID

Affiliation:

1. Department of Molecular and Mesoscopic Modelling, The Czech Academy of Sciences, Institute of Chemical Process Fundamentals, Prague 165 01, Czech Republic

2. Department of Physics, Faculty of Science, J. E. Purkyně University, Ústí nad Labem 400 96, Czech Republic

3. Department d’Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Tarragona 43007 Spain

4. U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, Maryland, 21005 United States

Funder

Army Research Office

H2020 Leadership in Enabling and Industrial Technologies

Grantov? Agentura Cesk? Republiky

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00453

Reference39 articles.

1. Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials

2. Generalized energy-conserving dissipative particle dynamics revisited: Insight from the thermodynamics of the mesoparticle leading to an alternative heat flow model

3. Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm

4. A coarse-grain force field for RDX: Density dependent and energy conserving

5. Coarse-grain modelling using an equation-of-state many-body potential: application to fluid mixtures at high temperature and high pressure

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