An Automatic Adaptive Importance Sampling Algorithm for Molecular Dynamics in Reaction Coordinates
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Publication:4607638
DOI10.1137/17M1124772zbMath1390.60190MaRDI QIDQ4607638
Jordi Quer, Marcus Weber, Luca Donati, Bettina G. Keller
Publication date: 14 March 2018
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
metastability; variance reduction; molecular dynamics; adaptive importance sampling; nonequilibrium sampling; metadynamics; Girsanov
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