Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations-Reference-Cited by-同舟云学术

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations

Published:2017-12-21 Issue:23 Volume:147 Page:231102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Hatch Harold W.¹^ORCID,Jiao Sally²^ORCID,Mahynski Nathan A.¹^ORCID,Blanco Marco A.¹³^ORCID,Shen Vincent K.¹

Affiliation:

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

2. Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA

3. Institute for Bioscience and Biotechnology Research, University of Maryland, Rockville, Maryland 20850, USA

Funder

NIST Summer Undergraduate Research Fellowship

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5016165

Reference18 articles.

1. Mayer Sampling: Calculation of Cluster Integrals using Free-Energy Perturbation Methods

2. Eighth to sixteenth virial coefficients of the Lennard-Jones model

3. Higher-Order Virial Coefficients of Water Models

4. Extended corresponding-states behavior for particles with variable range attractions

5. Self-assembly of trimer colloids: effect of shape and interaction range

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