2 papers
cond-mat.stat-mech2025
Correcting systematic errors in the likelihood optimization of underdamped Langevin models of molecular dynamics trajectories
David Daniel Girardier, Hadrien Vroylandt, Sara Bonella +1
Since Kramers' pioneering work in 1940, significant efforts have been devoted to studying Langevin equations applied to physical and chemical reactions projected onto few collectiv…
cond-mat.stat-mech2024
From high-dimensional committors to reactive insights
Nils E. Strand, Schuyler B. Nicholson, Hadrien Vroylandt +1
Transition path theory (TPT) offers a powerful formalism for extracting the rate and mechanism of rare dynamical transitions between metastable states. Most applications of TPT eit…