Learning from data to design functional materials without inversion symmetry

Computational design of functional materials with broken inversion symmetry is a complex task. Here, the authors demonstrate an approach that integrates symmetry analysis, data science methods, and density functional theory to accelerate the selection and identification process in complex oxides.

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Autores principales: Prasanna V. Balachandran, Joshua Young, Turab Lookman, James M. Rondinelli
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/6caa49546c9f44e8b3a0551c932bbc54
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