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Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Tag: Newton-X

Machine Learning in Chemistry, Method Development, News

Machine Learning for Absorption Cross Sections

Baoxin Xue Nov 20, 2020 Tagged with DFT, excited states, J. Phys. Chem. A, ML, MLatom, Newton-X, publications, TD-DFT

Paper Bao-Xin Xue, Mario Barbatti*, Pavlo O. Dral*, Machine Learning for Absorption Cross Sections, J. Phys. Chem. A 2020, 124, 7199–7210. DOI: 10.1021/acs.jpca.0c05310.Preprint …

Machine Learning for Absorption Cross Sections Read more →

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