Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Rupp, Matthias; Tkatchenko, Alexandre; Müller, Klaus-Robert; von Lilienfeld, O. Anatole

doi:10.1103/PhysRevLett.108.058301

Title: Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Journal Article · Tue Jan 31 00:00:00 EST 2012 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.108.058301· OSTI ID:1099077

Rupp, Matthias; Tkatchenko, Alexandre; Müller, Klaus-Robert; von Lilienfeld, O. Anatole

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Sponsoring Organization:: USDOE

OSTI ID:: 1099077

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 108 Journal Issue: 5; ISSN 0031-9007

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Country of Publication:: United States

Language:: English

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References (30)

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