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cond-mat.stat-mech2015
Advancements in Milestoning II: Calculating Autocorrelation from Milestoning Data Using Stochastic Path Integrals in Milestone Space
Gianmarc Grazioli, Ioan Andricioaei
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…
cond-mat.stat-mech2015★ 1 cited
Advancements in Milestoning I: Accelerated Milestoning via "Wind" Assisted Re-weighted Milestoning (WARM)
Gianmarc Grazioli, Ioan Andricioaei
The Milestoning algorithm created by Ron Elber et al. is a method for determining the time scale of processes too complex to be studied using brute force simulation methods. The fu…