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Monte Carlo simulations in generalized isobaric-isothermal ensembles
http://hdl.handle.net/2237/00029146
http://hdl.handle.net/2237/00029146f9adb4ef-cd14-41c4-b576-692ea3d103b5
名前 / ファイル | ライセンス | アクション |
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PhysRevE_70_026702 (331.4 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2018-12-25 | |||||
タイトル | ||||||
タイトル | Monte Carlo simulations in generalized isobaric-isothermal ensembles | |||||
言語 | en | |||||
著者 |
Okumura, Hisashi
× Okumura, Hisashi× Okamoto, Yuko |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | © 2004 American Physical Society | |||||
抄録 | ||||||
内容記述 | We present three generalized isobaric-isothermal ensemble Monte Carlo algorithms, which we refer to as the multibaric-multithermal, multibaric-isothermal, and isobaric-multithermal algorithms. These Monte Carlo simulations perform random walks widely in volume space and/or in potential energy space. From only one simulation run, one can calculate isobaric-isothermal-ensemble averages in wide ranges of pressure and temperature. We demonstrate the effectiveness of these algorithms by applying them to the Lennard-Jones 12-6 potential system with 500 particles. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | American Physical Society | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1103/PhysRevE.70.026702 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 2470-0045 | |||||
ISSN(Online) | ||||||
収録物識別子タイプ | EISSN | |||||
収録物識別子 | 2470-0053 | |||||
書誌情報 |
en : Physical Review E 巻 70, 号 2, p. 026702, 発行日 2004-08 |
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著者版フラグ | ||||||
値 | publisher |