37 citations · 72 across the 9 of their papers we have counts for
3 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…