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ファイル | 記述 | サイズ | フォーマット | |
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1742-6596/638/1/012003.pdf | 931.07 kB | Adobe PDF | 見る/開く |
タイトル: | Mathematical understanding of detailed balance condition violation and its application to Langevin dynamics |
著者: | Ohzeki, Masayuki Ichiki, Akihisa |
著者名の別形: | 大関, 真之 |
キーワード: | Physics and Astronomy(all) |
発行日: | 3-Sep-2015 |
出版者: | Institute of Physics Publishing |
誌名: | Journal of Physics: Conference Series |
巻: | 638 |
論文番号: | 012003 |
抄録: | We develop an efficient sampling method by simulating Langevin dynamics with an artificial force rather than a natural force by using the gradient of the potential energy. The standard technique for sampling following the predetermined distribution such as the Gibbs- Boltzmann one is performed under the detailed balance condition. In the present study, we propose a modified Langevin dynamics violating the detailed balance condition on the transition- probability formulation. We confirm that the numerical implementation of the proposed method actually demonstrates two major beneficial improvements: acceleration of the relaxation to the predetermined distribution and reduction of the correlation time between two different realizations in the steady state. |
著作権等: | © Published under licence by IOP Publishing Ltd. |
URI: | http://hdl.handle.net/2433/218827 |
DOI(出版社版): | 10.1088/1742-6596/638/1/012003 |
出現コレクション: | 学術雑誌掲載論文等 |
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