A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians

标题
A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 14, Issue 11, Pages 5764-5776
出版商
American Chemical Society (ACS)
发表日期
2018-10-16
DOI
10.1021/acs.jctc.8b00873

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