一种自适应偏置力法的长时间收敛性
Long-time convergence of an Adaptive Biasing Force method
摘要：
我们提出了一个自适应的方法在分子动力学计算自由能配置文件的收敛性证明。在数学上，它相当于研究满足非线性随机微分方程的随机过程的长期行为，其中漂移取决于过程的某些泛函的条件期望。我们使用熵技术证明指数收敛到平稳状态。
英文摘要：
We propose a proof of convergence of an adaptive method used in molecular dynamics to compute free energy profiles. Mathematically, it amounts to studying the long-time behavior of a stochastic process which satisfies a non-linear stochastic differential equation, where the drift depends on conditional expectations of some functionals of the process. We use entropy techniques to prove exponential convergence to the stationary state.
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