93 citations · 746 across the 53 of their papers we have counts for
6 papers · 1 filter
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…
A metric on directed graphs and Markov chains based on hitting probabilities
Zachary M. Boyd, Nicolas Fraiman, Jeremy L. Marzuola +3
The shortest-path, commute time, and diffusion distances on undirected graphs have been widely employed in applications such as dimensionality reduction, link prediction, and trip…
Path properties of atmospheric transitions: illustration with a low-order sudden stratospheric warming model
Justin Finkel, Dorian Abbot, Jonathan Weare
Many rare weather events, including hurricanes, droughts, and floods, dramatically impact human life. To accurately forecast these events and characterize their climatology require…
Error bounds for dynamical spectral estimation
Robert J. Webber, Erik H. Thiede, Douglas Dow +2
Dynamical spectral estimation is a well-established numerical approach for estimating eigenvalues and eigenfunctions of the Markov transition operator from trajectory data. Althoug…
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M. Greene, Robert J. Webber, Jonathan Weare +1
We present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method'…