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cond-mat.stat-mech2025
An exact multiple-time-step variational formulation for the committor and the transition rate
Chatipat Lorpaiboon, Jonathan Weare, Aaron R. Dinner
For a transition between two stable states, the committor is the probability that the dynamics leads to one stable state before the other. It can be estimated from trajectory data…
cond-mat.stat-mech2024★ 1 cited
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…