Assessment and validation of machine learning methods for predicting molecular atomization energies

Katja Hansen, Grégoire Montavon, Franziska Biegler, Siamac Fazli, Matthias Rupp, Matthias Scheffler, O. Anatole Von Lilienfeld, Alexandre Tkatchenko, Klaus Robert Müller

Research output: Contribution to journalArticlepeer-review

355 Citations (Scopus)

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Physics & Astronomy

Engineering & Materials Science

Chemical Compounds