deep neural networks for accurate predictions of crystal stability

Clicks: 116
ID: 157518
2018
Crystal stability prediction is of paramount importance for novel material discovery, with theoretical approaches alternative to expensive standard schemes highly desired. Here the authors develop a deep learning approach which, just using two descriptors, provides crystalline formation energies with very high accuracy.
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Authors ;Weike Ye;Chi Chen;Zhenbin Wang;Iek-Heng Chu;Shyue Ping Ong
Journal educacao e sociedade
Year 2018
DOI 10.1038/s41467-018-06322-x
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