Replica-exchange extensions of simulated tempering method

Ayori Mitsutake, Yuko Okamoto

Research output: Contribution to journalArticle

45 Citations (Scopus)

Abstract

The combinations of two well-known generalized-ensemble algorithms, which includes simulated tempering and replica-exchange method were discussed. In the replica-exchange simulated tempering, a short replica-exchange simulation was performed and the simulated tempering weight factor was obtained by the multiple-histogram reweighting techniques. The simulated tempering replica-exchange method was a further extension of the former in which a simulated tempering replica-exchange simulation was performed with a small number of replicas. These algorithms were found to be useful for studying frustrated systems with rough energy landscape.

Original languageEnglish
Pages (from-to)2491-2504
Number of pages14
JournalJournal of Chemical Physics
Volume121
Issue number6
DOIs
Publication statusPublished - 2004 Aug 8

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tempering
Tempering
replicas
weight (mass)
histograms
simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Replica-exchange extensions of simulated tempering method. / Mitsutake, Ayori; Okamoto, Yuko.

In: Journal of Chemical Physics, Vol. 121, No. 6, 08.08.2004, p. 2491-2504.

Research output: Contribution to journalArticle

Mitsutake, Ayori ; Okamoto, Yuko. / Replica-exchange extensions of simulated tempering method. In: Journal of Chemical Physics. 2004 ; Vol. 121, No. 6. pp. 2491-2504.
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