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  5. Stationary state distribution and efficiency analysis of Langevin dynamics in real dynamics and virt

Stationary state distribution and efficiency analysis of Langevin dynamics in real dynamics and virt

来源 :第十五届全国化学动力学会议 | 被引量 : 0次 | 上传用户：tsgistsgis
【摘 要】
：
Langevin dynamics is a typical thermostat for canonical MD simulations.Various schemes may be proposed for numerical integration of the Langevin equation.
【作 者】
：
Dezhang Li Xu Han Yichen Chai Cong Wang Jian Liu Jiushu Shao 
【机 构】
：
Beijing National Laboratory for Molecular Sciences,Institute of Theoretical and Computational Chemis
【出 处】
：
第十五届全国化学动力学会议
【发表日期】
：
2017年10期
【关键词】
：
Langevin dynamics numerical algorithms stationary state distribution characteris 
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　　Langevin dynamics is a typical thermostat for canonical MD simulations.Various schemes may be proposed for numerical integration of the Langevin equation.
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