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arXiv · 1109.4068

Comparing different protocols of temperature selection in the parallel tempering method

Carlos E. Fiore
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Abstract

Parallel tempering Monte Carlo simulations have been applied to a variety of systems presenting rugged free-energy landscapes. Despite this, its efficiency depends strongly on the temperature set. With this query in mind, we present a comparative study among different temperature selection schemes in three lattice-gas models. We focus our attention in the constant entropy method (CEM), proposed by Sabo {\it et al}. In the CEM, the temperature is chosen by the fixed difference of entropy between adjacent replicas. We consider a method to determine the entropy which avoids numerical integrations of the specific heat and other thermodynamic quantities. Different analyses for first- and second-order phase transitions have been undertaken, revealing that the CEM may be an useful criterion for selecting the temperatures in the parallel tempering

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Carlos E. Fiore. 2011-09-19. Comparing different protocols of temperature selection in the parallel tempering method. https://doi.org/10.1063/1.3636382

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