Metadynamics for Transition Paths in Irreversible Dynamics

DOI10.1137/23m1563025arXiv2211.09476MaRDI QIDQ6150466

Alessandro Laio, Tobias Grafke

Publication date: 6 March 2024

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2211.09476

zbMATH Keywords

irreversible dynamicsmetadynamicstransition path sampling

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Large deviations (60F10) Irreversible thermodynamics, including Onsager-Machlup theory (82C35) Computational molecular dynamics in statistical mechanics (82M37)

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