Simulation of Lattice Polymers with Multi-Self-Overlap Ensemble
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概要
- 論文の詳細を見る
A novel faunily of dynaunical Nlonte Carlo algorithms for lattice polymers is proposed. Ourcentral idea is to sinaulate an extended 0IIS(2l1'l1)ICI irt which the self-;rvoiding condition is systetm-atically weakened. The degree of self-overlap is controlled in a sitnilar rnanner as the naulticanon-ical ensemble. As a consequence, the ensernble -- the unttlti-self-overlap ensernble - containsadequate portions of self-overlapping confornaations as well as higher energy ones. It is shownthat the mtrlti-self-overlap ensernble algorithtn correctly reproduces the canonical averages atfinite ternperatttres of the HP model of lattice proteins. 1VIoreover, it is sttperior in performanceto the standard rntnlticanonical algorithm when applied to a cotnplicated prolclern of' a polymerwith eight-stickers. An alternative algorithm based on the exchange IVIonte Carlo rnethod is alsodiscussed.
- 社団法人日本物理学会の論文
- 1998-10-15
著者
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Matsuzaki K
Institute For Materials Research Tohoku University
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chikenji george
Department of engineering, Nagoya University
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Kikuchi M
Tohoku Univ. Sendai Jpn
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Kikuchi Masae
The Research Institute For Iron Steel And Other Metals Tohoku University
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Kikuchi Masae
Institute For Material Research Tohoku University
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IBA Yukito
The Institute of Statistical Mathematics
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KIKUCHI Macoto
Department of Physics,Osaka University
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Kikuchi Macoto
Department Of Physics Osaka University
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Iba Y
The Institute Of Statistical Mathematics
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Chikenji George
Department Of Computational Science And Engineering Nagoya University Graduate School Of Engineering
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Kikuchi Macoto
Department Of Physice Graduate School Of Science Osaka University
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CHIKENJI George
Department of Physics,Osaka University
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Iba Yikito
The Institute of Statistical Mathematics
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