Center-environment deep transfer machine learning across crystal structures: from spinel oxides to perovskite oxides

Abstract In data-driven materials design where the target materials have limited data, the transfer machine learning from large known source materials, becomes a demanding strategy especially across different crystal structures. In this work, we proposed a deep transfer learning approach to predict...

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Bibliographic Details
Main Authors: Yihang Li, Ruijie Zhu, Yuanqing Wang, Lingyan Feng, Yi Liu
Format: Article
Language:English
Published: Nature Portfolio 2023-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01068-7