Ekaterina Spirande

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

Number of pages: 35 Posted: 09 Sep 2025

Ekaterina Spirande, Timofei Miryashkin, Andrei Kolmakov and Alexander V. Shapeev

affiliation not provided to SSRN, Skolkovo Institute of Science and Technology, affiliation not provided to SSRN and Skolkovo Institute of Science and Technology

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