Communication: multicanonical entropy-like solution of statistical temperature weighted histogram analysis method.

Communication: multicanonical entropy-like solution of statistical temperature weighted histogram analysis method.
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通讯:统计温度加权直方图分析方法的多规范熵解。

DOI:
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发表时间:
2011
影响因子:
4.4
通讯作者:
N. Alves
N. Alves
中科院分区:
化学2区
文献类型:
--
作者:
L. Rizzi;N. Alves

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A multicanonical update relation for calculation of the microcanonical entropy S(micro)(E) by means of the estimates of the inverse statistical temperature β(S), is proposed. This inverse temperature is obtained from the recently proposed statistical temperature weighted histogram analysis method (ST-WHAM). The performance of ST-WHAM concerning the computation of S(micro)(E) from canonical measures, in a model with strong free-energy barriers, is also discussed on the basis of comparison with the multicanonical simulation estimates.
DOI: 10.1063/1.3432176
发表时间: 2010-06-14
影响因子: 4.4
作者:
Kim, Jaegil;Keyes, Thomas;Straub, John E.
通讯作者: Straub, John E.
DOI: 10.1063/1.3503503
发表时间: 2010
期刊: The Journal of chemical physics
影响因子: --
作者:
Kim,Jaegil;Straub,JohnE
通讯作者: Straub,JohnE