Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks
Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks
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DOI：
10.1021/acs.jpcc.0c02348
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发表时间：
2020-03
期刊：
影响因子：
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通讯作者：
Yong Zhao;Kunpeng Yuan;Yinqiao Liu;Steph-Yves M. Louis;Ming Hu;Jianjun Hu
中科院分区：
文献类型：
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作者：
Yong Zhao;Kunpeng Yuan;Yinqiao Liu;Steph-Yves M. Louis;Ming Hu;Jianjun Hu
材料表征在基于机器学习的材料性能预测和新材料发现中起着关键作用。目前，图形和三维体素表示方法的基础…
Materials representation plays a key role in machine learning based prediction of materials properties and new materials discovery. Currently both graph and 3D voxel representation methods are base...