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Compositional design of compounds with elements not in training data using supervised learning

Jingjin He Ruowei Yin Changxin Wang Chuanbao Liu Dezhen Xue Yanjing Su Lijie Qiao Turab Lookman Yang Bai

无机材料学学报（英文）2025，Vol.11Issue(3)：28-35,8.

无机材料学学报（英文）2025，Vol.11Issue(3)：28-35,8.DOI:10.1016/j.jmat.2024.06.008

Compositional design of compounds with elements not in training data using supervised learning

Jingjin He ¹Ruowei Yin ²Changxin Wang ²Chuanbao Liu ³Dezhen Xue ⁴Yanjing Su ²Lijie Qiao ²Turab Lookman ⁵Yang Bai²

作者信息

1. Beijing Advanced Innovation Center for Materials Genome Engineering,Institute for Advanced Material and Technology,University of Science and Technology Beijing,Beijing,100083,China||Faculty of Materials Science and Engineering,Kunming University of Science and Technology,Kunming,650093,China
2. Beijing Advanced Innovation Center for Materials Genome Engineering,Institute for Advanced Material and Technology,University of Science and Technology Beijing,Beijing,100083,China
3. School of Materials Science and Technology,University of Science and Technology Beijing,Beijing,100083,China
4. State Key Laboratory for Mechanical Behavior of Materials,Xi'an Jiaotong University,Xi'an,710049,China
5. AiMaterials Research LLC,Santa Fe,NM,87501,USA
折叠

摘要

关键词

Machine learning/Compositional design/BaTiO3/Phase diagram

Key words

Machine learning/Compositional design/BaTiO3/Phase diagram

引用本文复制引用

Jingjin He,Ruowei Yin,Changxin Wang,Chuanbao Liu,Dezhen Xue,Yanjing Su,Lijie Qiao,Turab Lookman,Yang Bai..Compositional design of compounds with elements not in training data using supervised learning[J].无机材料学学报（英文）,2025,11(3):28-35,8.

基金项目

This work was supported by grants from National Natural Sci-ence Foundation of China(52303295,52173217),National Key Research and Development Program of China(2022YFB3807401),111 project(B170003)and Yunnan Fundamental Research Projects(grant NO.202301BE070001-031). （52303295,52173217）

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