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检索条件"主题词=multibaric-multithermal algorithm"
6 条 记 录,以下是1-10 订阅
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multibaric-multithermal molecular dynamics simulation: generalized Nose-Poincare-Andersen method
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MOLECULAR SIMULATION 2007年 第1-2期33卷 91-96页
作者: Okumura, Hisashi Okamoto, Yuko Nagoya Univ Sch Sci Dept Phys Nagoya Aichi 4648602 Japan
The multibaric-multithermal (MUBATH) algorithm is a generalized-ensemble algorithm with which a random walk both in potential-energy space and in volume space is realized. The MUBATH simulation thus can escape from an... 详细信息
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multibaric-multithermal molecular dynamics simulation: generalized Nose-Poincare-Andersen method
Multibaric-multithermal molecular dynamics simulation: gener...
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Symposium on Progress and Future Prospects in Molecular Dynamics Simulation
作者: Okumura, Hisashi Okamoto, Yuko Nagoya Univ Sch Sci Dept Phys Nagoya Aichi 4648602 Japan
The multibaric-multithermal (MUBATH) algorithm is a generalized-ensemble algorithm with which a random walk both in potential-energy space and in volume space is realized. The MUBATH simulation thus can escape from an... 详细信息
来源: 评论
Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systems
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MOLECULAR SIMULATION 2012年 第5期38卷 452-457页
作者: Mori, Yoshiharu Okamoto, Yuko Nagoya Univ Dept Phys Nagoya Aichi 4648602 Japan Nagoya Univ Struct Biol Res Ctr Nagoya Aichi 4648602 Japan Nagoya Univ Ctr Computat Sci Nagoya Aichi 4648603 Japan
Generalised-ensemble algorithms for isobaric-isothermal molecular simulations are described in this article. In addition to the multibaric-multithermal algorithm and replica-exchange method for the isobaric-isothermal... 详细信息
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Generalized-ensemble algorithms for molecular dynamics simulations
Generalized-ensemble algorithms for molecular dynamics simul...
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Symposium on Progress and Future Prospects in Molecular Dynamics Simulation
作者: Itoh, Satoru G. Okumura, Hisashi Okamoto, Yuko Nagoya Univ Sch Sci Dept Phys Nagoya Aichi 4648602 Japan
In complex systems with many degrees of freedom such as biomolecular systems, conventional Monte Carlo and molecular dynamics simulations in canonical ensemble or isobaric-isothermal ensemble suffer from the multiple-... 详细信息
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Generalised-ensemble algorithms for studying temperature and pressure dependence of complex systems
Generalised-ensemble algorithms for studying temperature and...
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21st IUPAC International Conference on Chemical Thermodynamics (ICCT)
作者: Mori, Yoshiharu Okamoto, Yuko Nagoya Univ Dept Phys Nagoya Aichi 4648602 Japan Nagoya Univ Struct Biol Res Ctr Nagoya Aichi 4648602 Japan Nagoya Univ Ctr Computat Sci Nagoya Aichi 4648603 Japan
Generalised-ensemble algorithms for isobaric-isothermal molecular simulations are described in this article. In addition to the multibaric-multithermal algorithm and replica-exchange method for the isobaric-isothermal... 详细信息
来源: 评论
Generalized-ensemble algorithms for molecular dynamics simulations
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MOLECULAR SIMULATION 2007年 第1-2期33卷 47-56页
作者: Itoh, Satoru G. Okumura, Hisashi Okamoto, Yuko Nagoya Univ Sch Sci Dept Phys Nagoya Aichi 4648602 Japan
In complex systems with many degrees of freedom such as biomolecular systems, conventional Monte Carlo and molecular dynamics simulations in canonical ensemble or isobaric-isothermal ensemble suffer from the multiple-... 详细信息
来源: 评论