Generalized-ensemble simulations of spin systems and protein systems

Takehiro Nagasima, Yuji Sugita, Ayori Mitsutake, Yuko Okamoto

研究成果: Article

9 引用 (Scopus)

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In complex systems such as spin systems and protein systems, conventional simulations in the canonical ensemble will get trapped in states of energy local minima. We employ the generalized-ensemble algorithms in order to overcome this multiple-minima problem. Three well-known generalized-ensemble algorithms, namely, multicanonical algorithm, simulated tempering, and replica-exchange method, are described. We then present three new generalized-ensemble algorithms based on the combinations of the three methods. Effectiveness of the new methods are tested with a Potts model and protein systems.

元の言語English
ページ(範囲)69-76
ページ数8
ジャーナルComputer Physics Communications
146
発行部数1
DOI
出版物ステータスPublished - 2002 6 15

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ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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