93 citations · 205 across the 16 of their papers we have counts for
3 papers · 1 filter
Error Breakdown and Sensitivity Analysis of Dynamical Quantities in Markov State Models
Yehor Tuchkov, Luke Evans, Sonya M. Hanson +1
Markov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or sta…
Integrated VAC: A robust strategy for identifying eigenfunctions of dynamical operators
Chatipat Lorpaiboon, Erik Henning Thiede, Robert J. Webber +2
One approach to analyzing the dynamics of a physical system is to search for long-lived patterns in its motions. This approach has been particularly successful for molecular dynami…
Galerkin Approximation of Dynamical Quantities using Trajectory Data
Erik H. Thiede, Dimitrios Giannakis, Aaron R. Dinner +1
Understanding chemical mechanisms requires estimating dynamical statistics such as expected hitting times, reaction rates, and committors. Here, we present a general framework for…