...
首页> 外文期刊>The Journal of Chemical Physics >Generating transition paths by Langevin bridges
【24h】

Generating transition paths by Langevin bridges

机译:通过Langevin桥生成过渡路径

获取原文
获取原文并翻译 | 示例
           

摘要

We propose a novel stochastic method to generate paths conditioned to start in an initial state and end in a given final state during a certain time t f. These paths are weighted with a probability given by the overdamped Langevin dynamics. We show that these paths can be exactly generated by a non-local stochastic differential equation. In the limit of short times, we show that this complicated non-solvable equation can be simplified into an approximate local stochastic differential equation. For longer times, the paths generated by this approximate equation do not satisfy the correct statistics, but this can be corrected by an adequate reweighting of the trajectories. In all cases, the paths are statistically independent and provide a representative sample of transition paths. The method is illustrated on the one-dimensional quartic oscillator.
机译:我们提出了一种新颖的随机方法来生成条件,该条件的条件是在某个时间t f内从初始状态开始并以给定的最终状态结束。这些路径以过阻尼的朗格文动力学给出的概率加权。我们表明,这些路径可以由非局部随机微分方程精确生成。在短时间内,我们证明了这个复杂的不可解方程可以简化为一个近似的局部随机微分方程。对于更长的时间,由该近似方程式生成的路径不满足正确的统计信息,但是可以通过适当地重新加权轨迹来对此进行校正。在所有情况下,路径在统计上都是独立的,并提供了过渡路径的代表性样本。在一维四次振荡器上说明了该方法。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号