Extension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems
Author:
Affiliation:
1. Lehigh University Department of Chemical and Biomolecular Engineering, B323 Iacocca Hall, 111 Research Drive, Bethlehem, Pennsylvania 18015-4791, USA
Funder
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5100960
Reference33 articles.
1. Melting Transition and Communal Entropy for Hard Spheres
2. A cell theory for solid solutions: Application to hard sphere mixtures
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5. Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques
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