Newest work from Sofia, Franziska and Gerhard: an assessment how far state models similar to MSMs can describe non-Markovian dynamics. Out now as preprint under: arxiv.org/abs/2412.08660 #compchem
arxiv.org
Markov-type state models to describe non-Markovian dynamics
When clustering molecular dynamics (MD) trajectories into a few metastable conformational states, the Markov state models (MSMs) assumption of timescale separation between fast intrastate fluctuations...
