Corpus ID: 52831911

Advancements in Milestoning II: Calculating Autocorrelation from Milestoning Data Using Stochastic Path Integrals in Milestone Space

@article{Grazioli2015AdvancementsIM,
  title={Advancements in Milestoning II: Calculating Autocorrelation from Milestoning Data Using Stochastic Path Integrals in Milestone Space},
  author={Gianmarc Grazioli and Ioan Andricioaei},
  journal={arXiv: Statistical Mechanics},
  year={2015}
}
The Milestoning method has achieved great success in the calculation of equilibrium kinetic properties such as rate constants from molecular dynamics simulations. The goal of this work is to advance Milestoning into the realm of non-equilibrium statistical mechanics, in particular, the calculation of time correlation functions. In order to accomplish this, we introduce a novel methodology for obtaining flux through a given milestone configuration as a function of both time and initial… 

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