Thermodynamic Descriptors from Molecular Dynamics as Machine Learning Features for Extrapolable Property Prediction

Fuente: arXiv

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Bibliographic Details
Main Authors:	Espejo, Nuria H., Llombart, Pablo, de Castilla, Andrés González, Ramirez, Jorge, Espinosa, Jorge R., Garaizar, Adiran
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2603.12017