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

Published 2018 View Full Article

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Title
A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 11, Pages 5764-5776
Publisher
American Chemical Society (ACS)
Online
2018-10-16
DOI
10.1021/acs.jctc.8b00873

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