Data-driven molecular modeling with the generalized Langevin equation
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Publication:2124588
DOI10.1016/j.jcp.2020.109633WikidataQ99578467 ScholiaQ99578467MaRDI QIDQ2124588
Huan Lei, Nathan A. Baker, Xiantao Li, Francesca Grogan
Publication date: 11 April 2022
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1912.00265
dimension reduction; molecular dynamics; coarse-grained models; generalized Langevin equation; data-driven parametrization
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