Deep learning framework for accurate prediction and high-throughput search of the thermoelectric figure of merit in skutterudites

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Authors: Víctor Posligua, Karina Landivar, Elena R. Remesal, Gerda Rogl, Peter Franz Rogl, Javier Fdez. Sanz, Jesús Prado‐Gonjal, Antonio M. Márquez, José J. Plata
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Abstract

The integration of artificial intelligence and machine learning is transforming the landscape of materials discovery, facilitating unprecedented acceleration in the exploration of vast chemical spaces and the prediction of material properties.

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Thermoelectric Materials and Devices X-ray Diffraction in Crystallography

Publication details

Journal / source
Journal of Materials Chemistry A
Volume
14
Issue
33
Pages
21568–21581
Publication date
1 January 2026
Language
EN