Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm-Reference-Cited by-同舟云学术

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

Published:2022-10-28 Issue:12 Volume:18 Page:7639-7652
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Avalos Josep Bonet¹^ORCID,Lísal Martin²³^ORCID,Larentzos James P.⁴^ORCID,Mackie Allan D.¹^ORCID,Brennan John K.⁴^ORCID

Affiliation:

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

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

3. Department of Physics, Faculty of Science, J. E. Purkyně University, Ústí nad Labem, 40096 Czech Republic

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

Funder

Ministerio de Ciencia, Innovaci?n y Universidades

Army Research Office

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.2c00452

Reference63 articles.

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3. DISSIPATIVE PARTICLE DYNAMICS IN SOFT MATTER AND POLYMERIC APPLICATIONS — A REVIEW

4. Brennan, J. K.; Lísal, M. Coarse-grain models for metals: Constant-pressure dissipative particle dynamics simulations. Proceedings of the 14th International Detonation Symposium 2010, Office of Naval Research ONR-351-10-185 2010; pp 1451–1459.

5. An Introduction to Coarse-Graining Approaches: Linking Atomistic and Mesoscales

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