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cond-mat.stat-mech2019
Accelerated estimation of long-timescale kinetics by combining weighted ensemble simulation with Markov model "microstates" using non-Markovian theory
Jeremy Copperman, Daniel Zuckerman
The weighted ensemble (WE) simulation strategy provides unbiased sampling of non-equilibrium processes, such as molecular folding or binding, but the extraction of rate constants r…
cond-mat.stat-mech2018
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture
Jeremy Copperman, David Aristoff, Dmitrii E. Makarov +2
Probability currents are fundamental in characterizing the kinetics of non-equilibrium processes. Notably, the steady-state current for a source-sink system can provide th…