Multicanonical entropy like-solution of statistical temperature weighted histogram analysis method (ST-WHAM)

Details Multicanonical entropy like-solution of statistical temperature weighted histogram analysis method (ST-WHAM) Multicanonical entropy like-solution of statistical temperature weighted histogram analysis method (ST-WHAM)

2011-09-27

arxiv.org/abs/1109.5914v1

J. Chem. Phys. 135, 141101 (2011)

Physics

Condensed Matter

Statistical Mechanics

10 pages, 2 figures

Scientific paper

10.1063/1.3651627

A multicanonical update relation for calculation of the microcanonical entropy $S_{micro}(E)$ by means of the estimates of the inverse statistical temperature $\beta_S$, 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.

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