Sep 2026
DIME: Dynamics Inferred from Monte Carlo Ensembles via Continuous-Time Markov Chains
A framework for constructing a continuous-time Markov chain (CTMC) from a static, Boltzmann-weighted ensemble is presented, enabling the generation of physically plausible kinetic trajectories without requiring extensive molecular dynamics simulation.
Krishna Praneet Mulukutla, Marimuthu Krishnan
· Journal of Chemical Informat... · 0 citations