Free energy computations by minimization of Kullback-Leibler divergence: An efficient adaptive biasing potential method for sparse representations

DOI10.1016/J.JCP.2012.01.033zbMath1252.82051arXiv1011.2416OpenAlexW2962821901MaRDI QIDQ417933

Ilias Bilionis, Phaedon-Stelios Koutsourelakis

Publication date: 14 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1011.2416

zbMATH Keywords

atomistic simulationstatistical learningsequential Monte Carlo methodadaptive biasing potentialfree energy computation

Mathematics Subject Classification ID

Non-Markovian processes: estimation (62M09) Learning and adaptive systems in artificial intelligence (68T05) Statistical thermodynamics (82B30)

Related Items (8)

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