Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations

Published:2023-04-25 Issue:10 Volume:56 Page:1156-1167
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Karmakar Tarak¹^ORCID,Finney Aaron R.²^ORCID,Salvalaglio Matteo²^ORCID,Yazaydin A. Ozgur²^ORCID,Perego Claudio³^ORCID

Affiliation:

1. Department of Chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India

2. Thomas Young Centre and Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE, United Kingdom

3. Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, Polo Universitario Lugano, via la Santa 1, 6962 Lugano-Viganello, Switzerland

Funder

Engineering and Physical Sciences Research Council

Science and Engineering Research Board

Indian Institute of Technology Delhi

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.2c00811

Reference81 articles.

1. Molecular dynamics simulations of solutions at constant chemical potential

2. Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation

3. Molecular Dynamics Simulations of Crystal Nucleation from Solution at Constant Chemical Potential

4. Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite

5. Nonequilibrium Equality for Free Energy Differences

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