Bypassing the Kohn-Sham equations with machine learning

scientific article published on 11 October 2017

Bypassing the Kohn-Sham equations with machine learning is …
instance of (P31):
scholarly articleQ13442814

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P819ADS bibcode2017NatCo...8..872B
P818arXiv ID1609.02815
P356DOI10.1038/S41467-017-00839-3
P932PMC publication ID5636838
P698PubMed publication ID29021555

P50authorKlaus-Robert MüllerQ26709023
Li LiQ57956637
Leslie VogtQ89098228
Kieron BurkeQ89362891
P2093author name stringMark E Tuckerman
Felix Brockherde
P2860cites workFrom ultrasoft pseudopotentials to the projector augmented-wave methodQ21708488
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Machine learning of accurate energy-conserving molecular force fields.Q33643510
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Optimizing transition states via kernel-based machine learning.Q45960618
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Heavy-atom skeleton quantization and proton tunneling in "intermediate-barrier" hydrogen bondsQ49664684
Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces.Q50595425
Finding density functionals with machine learning.Q50783650
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P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P4510describes a project that usesmachine learningQ2539
P433issue1
P407language of work or nameEnglishQ1860
P921main subjectmachine learningQ2539
P304page(s)872
P577publication date2017-10-11
P1433published inNature CommunicationsQ573880
P1476titleBypassing the Kohn-Sham equations with machine learning
P478volume8

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