42 citations · 63 across the 6 of their papers we have counts for
5 papers · 1 filter
Nonparametric Reaction Coordinate Optimization with Histories: A Framework for Rare Event Dynamics
Polina V. Banushkina, Sergei V. Krivov
Rare but critical events in complex systems, such as protein folding, chemical reactions, disease progression, and extreme weather or climate phenomena, are governed by complex, hi…
Nonequilibrium Optimal Reaction Coordinates for Diffusion
Sergei V. Krivov
Complex multidimensional stochastic dynamics can be approximately described as diffusion along reaction coordinates (RCs). If the RCs are optimally selected, the diffusive model al…
Non-Parametric Analysis of Non-Equilibrium Simulations
Sergei V. Krivov
We extend the non-parametric framework of reaction coordinate optimization to non-equilibrium ensembles of (short) trajectories. For example, we show how, starting from such an ens…
Blind analysis of molecular dynamics
Sergei Krivov
We describe a non-parametric approach for accurate determination of the slowest relaxation eigenvectors of molecular dynamics. The approach is blind as it uses no system specific i…
Optimal Coordinate as a General Method in Stochastic Dynamics
Sergei V. Krivov
A general method to describe stochastic dynamics of Markov processes is suggested. The method aims to solve three related problems. The determination of an optimal coordinate for t…