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Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics

Fuente: arXiv

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Bibliographic Details
Main Authors:	Spirande, Ekaterina, Miryashkin, Timofei, Kolmakov, Andrei, Shapeev, Alexander
Format:	Preprint
Published:	2025
Subjects:	Materials Science Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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