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18 Jan 2021
Articles

Elucidating atmospheric brown carbon -- Supplanting chemical intuition with exhaustive enumeration and machine learning

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Enviromental Science & Technology 55, 8447–8457 (2021) https://doi.org/10.1021/acs.est.1c00885 

Authors: Enrico Tapavicza, Guido Falk von Rudorff, David O. De Haan, Mario Contin, Christian George, Matthieu Riva, O. Anatole von Lilienfeld

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04 Feb 2021
Articles

Machine learning based energy-free structure predictions of molecules (closed and open-shell), transition states, and solids

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Chemical Physics (2021) https://arxiv.org/abs/2102.02806

Authors: Dominik Lemm, Guido Falk von Rudorff, O. Anatole von Lilienfeld

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