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Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method

✍ Scribed by Bruce, A. D.; Wilding, N. B.; Ackland, G. J.

Book ID: 118032580
Publisher: The American Physical Society
Year: 1997
Tongue: English
Weight: 228 KB
Volume: 79
Category: Article
ISSN: 0031-9007
DOI: 10.1103/physrevlett.79.3002

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## Abstract We present a method of parallelizing flat histogram Monte Carlo simulations, which give the free energy of a molecular system as an output. In the serial version, a constant probability distribution, as a function of any system parameter, is calculated by updating an external potential