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physics.chem-ph2020
Markov models from the Square Root Approximation of the Fokker-Planck equation: calculating the grid-dependent flux
Luca Donati, Marcus Weber, Bettina G. Keller
Molecular dynamics are extremely complex, yet understanding the slow components of their dynamics is essential to understanding their macroscopic properties. To achieve this, one m…
physics.chem-ph2020★ 19 cited
Path probability ratios for Langevin dynamics -- exact and approximate
Stefanie Kieninger, Bettina G. Keller
Path reweighting is a principally exact method to estimate dynamic properties from biased simulations - provided that the path probability ratio matches the stochastic integrator u…