Replica-exchange extensions of simulated tempering method

Ayori Mitsutake, Yuko Okamoto

研究成果: Article査読

47 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)2491-2504
ページ数14
ジャーナルJournal of Chemical Physics
121
6
DOI
出版ステータスPublished - 2004 8 8

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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