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Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions. (2019)

First Author: Schütt KT

Attributed to: Computational prediction of hot-electron chemistry: Towards electronic control of catalysis funded by UKRI FLF

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1038/s41467-019-12875-2

PubMed Identifier: 31729373

Publication URI: http://europepmc.org/abstract/MED/31729373

Type: Journal Article/Review

Volume: 10

Parent Publication: Nature communications

Issue: 1

ISSN: 2041-1723