From multidimensional replica-exchange method to multidimensional multicanonical algorithm and simulated tempering

Ayori Mitsutake, Yuko Okamoto

Research output: Contribution to journalArticlepeer-review

35 Citations (Scopus)

Abstract

We discuss multidimensional generalizations of multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential-energy function E0 by adding any physical quantity V of interest as a new energy term with a coupling constant λ. We then perform a multidimensional multicanonical simulation where a random walk in E0 and V spaces is realized. We can alternately perform a multidimensional simulated-tempering simulation where a random walk in temperature T and parameter λ is realized. The results of the multidimensional replica-exchange simulations can be used to determine the weight factors for these multidimensional multicanonical and simulated-tempering simulations.

Original languageEnglish
Article number047701
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume79
Issue number4
DOIs
Publication statusPublished - 2009 Apr 1

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

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