93 citations · 746 across the 53 of their papers we have counts for
5 papers · 1 filter
Augmented Transition Path Theory for Sequences of Events
Chatipat Lorpaiboon, Jonathan Weare, Aaron R. Dinner
Transition path theory provides a statistical description of the dynamics of a reaction in terms of local spatial quantities. In its original formulation, it is limited to reaction…
Long-timescale predictions from short-trajectory data: A benchmark analysis of the trp-cage miniprotein
John Strahan, Adam Antoszewski, Chatipat Lorpaiboon +3
Elucidating physical mechanisms with statistical confidence from molecular dynamics simulations can be challenging owing to the many degrees of freedom that contribute to collectiv…
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…
Data assimilation in the low noise regime with application to the Kuroshio
Eric Vanden-Eijnden, Jonathan Weare
On-line data assimilation techniques such as ensemble Kalman filters and particle filters lose accuracy dramatically when presented with an unlikely observation. Such an observatio…