Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations-Reference-Cited by-同舟云学术

Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations

Published:2023-03-28 Issue:13 Volume:127 Page:3041-3051
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Hatch Harold W.¹^ORCID,Siderius Daniel W.¹^ORCID,Errington Jeffrey R.²^ORCID,Shen Vincent K.¹

Affiliation:

1. Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, United States

2. Department of Chemical and Biological Engineering, University at Buffalo, Buffalo, New York 14260, United States

Funder

Division of Chemistry

National Institute of Standards and Technology

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c00613

Reference56 articles.

1. Direct calculation of liquid–vapor phase equilibria from transition matrix Monte Carlo simulation

2. Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”

3. Critical parameters of the restricted primitive model

4. Monte Carlo simulation methods for computing the wetting and drying properties of model systems

5. Monte Carlo simulation strategies for computing the wetting properties of fluids at geometrically rough surfaces

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