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A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation

Fuente: arXiv

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Bibliographic Details
Main Authors:	Solé, Àlex, Mosella-Montoro, Albert, Cardona, Joan, Gómez-Coca, Silvia, Aravena, Daniel, Ruiz, Eliseo, Ruiz-Hidalgo, Javier
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Materials Science Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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