Machine-learning correction to density-functional crystal structure optimization

被引:0
|
作者
Robert Hussein
Jonathan Schmidt
Tomás Barros
Miguel A. L. Marques
Silvana Botti
机构
[1] Friedrich-Schiller-Universität Jena,Institut für Festkörpertheorie und
[2] European Theoretical Spectroscopy Facility,optik
[3] Martin-Luther-Universität Halle-Wittenberg,Institut für Physik
来源
MRS Bulletin | 2022年 / 47卷
关键词
Machine learning; Crystallographic structure; Predictive;
D O I
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中图分类号
学科分类号
摘要
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页码:765 / 771
页数:6
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