Stochastic Neural Network Approach for Learning High-Dimensional Free Energy Surfaces

The generation of free energy landscapes corresponding to conformational equilibria in complex molecular systems remains a significant computational challenge. Adding to this challenge is the need to represent, store, and manipulate the often high-dimensional surfaces that result from rare-event sam...

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Veröffentlicht in:	Physical review letters 2017-10, Vol.119 (15), p.150601-150601, Article 150601
Hauptverfasser:	Schneider, Elia, Dai, Luke, Topper, Robert Q, Drechsel-Grau, Christof, Tuckerman, Mark E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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