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

Abstract

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.

10 pages, 2 figures

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• Shape-free theory for the self-assembly kinetics in macromolecular systems
• Microcanonical thermostatistics analysis without histograms: cumulative distribution and Bayesian approaches
• Kinetics of first-order phase transitions from microcanonical thermostatistics