Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particles-Reference-Cited by-同舟云学术

Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particles

Published:2019-04-28 Issue:16 Volume:150 Page:164112
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Schieber Natalie P.¹,Shirts Michael R.¹^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, USA

Funder

Division of Graduate Education

Directorate for Computer and Information Science and Engineering

Division of Chemical, Bioengineering, Environmental, and Transport Systems

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5080431

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