22 citations · 27 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2023
Efficient Estimation of Transition Rates as Functions of pH
Luca Donati, Marcus Weber
Extracting the kinetic properties of a system whose dynamics depend on the pH of the environment with which it exchanges energy and atoms requires sampling the Grand Canonical Ense…
physics.chem-ph2022★ 22 cited
A review of Girsanov Reweighting and of Square Root Approximation for building molecular Markov State Models
Luca Donati, Marcus Weber, Bettina G. Keller
Dynamical reweighting methods permit to estimate kinetic observables of a stochastic process governed by a target potential from trajectories that have been generate…
physics.chem-ph2022★ 5 cited
Assessing transition rates as functions of environmental variables
Luca Donati, Marcus Weber
We present a method to estimate the transition rates of molecular systems under different environmental conditions which cause the formation or the breaking of bonds and require th…