25 citations · 50 across the 4 of their papers we have counts for
5 papers
BAD-NEUS: Rapidly converging trajectory stratification
John Strahan, Chatipat Lorpaiboon, Jonathan Weare +1
An issue for molecular dynamics simulations is that events of interest often involve timescales that are much longer than the simulation time step, which is set by the fastest time…
Accurate estimates of dynamical statistics using memory
Chatipat Lorpaiboon, Spencer C. Guo, John Strahan +2
Many chemical reactions and molecular processes occur on timescales that are significantly longer than those accessible by direct simulation. One successful approach to estimating…
Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction
John Strahan, Spencer C. Guo, Chatipat Lorpaiboon +2
Understanding dynamics in complex systems is challenging because there are many degrees of freedom, and those that are most important for describing events of interest are often no…
Predicting rare events using neural networks and short-trajectory data
John Strahan, Justin Finkel, Aaron R. Dinner +1
Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simula…
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…