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cond-mat.stat-mech2020
A gentle introduction to the non-equilibrium physics of trajectories: Theory, algorithms, and biomolecular applications
Daniel M. Zuckerman, John D. Russo
Despite the importance of non-equilibrium statistical mechanics in modern physics and related fields, the topic is often omitted from undergraduate and core-graduate curricula. Key…
physics.comp-ph2020★ 1 cited
Iterative trajectory reweighting for estimation of equilibrium and non-equilibrium observables
John D. Russo, Jeremy Copperman, Daniel M. Zuckerman
We present two algorithms by which a set of short, unbiased trajectories can be iteratively reweighted to obtain various observables. The first algorithm estimates the stationary (…