Constructing Generalized Sample Transition Probabilities with Biased Simulations.
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.5c01307
Abstract: In molecular dynamics (MD) simulations, accessing transition probabilities between states is crucial for understanding kinetic information such as reaction paths and rates. However, standard MD simulations are hindered by the capacity to visit the states… read more here.
Keywords: sample transition; constructing generalized; transition probabilities; transition ... See more keywords