Browse by Author Schütt, Kristof T.

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PreviewIssue DateTitleAuthor(s)Editor(s)
26-Jul-2021Datasets: Machine learning of solvent effects on molecular spectra and reactionsGastegger, Michael; Schütt, Kristof T.; Müller, Klaus-Robert-
25-Sep-2019Hamiltonian datasets: "Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions""Schütt, Kristof T.; Gastegger, Michael; Tkatchenko, Alexandre; Müller, Klaus-Robert; Maurer, Reinhard J.-
Unke_etal_Machine_2021.pdf.jpg11-Mar-2021Machine learning force fieldsUnke, Oliver T.; Chmiela, Stefan; Sauceda, Huziel E.; Gastegger, Michael; Poltavsky, Igor; Schütt, Kristof T.; Tkatchenko, Alexandre; Müller, Klaus-Robert-
e1603015.full.pdf.jpg2017Machine learning of accurate energy-conserving molecular force fieldsChmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert-
Gastegger_etal_Machine_2021.pdf.jpg23-Jul-2021Machine learning of solvent effects on molecular spectra and reactionsGastegger, Michael; Schütt, Kristof T.; Müller, Klaus-Robert-
21-Jun-2021Perspective on integrating machine learning into computational chemistry and materials scienceWestermayr, Julia; Gastegger, Michael; Schütt, Kristof T.; Maurer, Reinhard J.-
schuett_etal_2019.pdf.jpg10-Sep-2019Quantum-Chemical Insights from Interpretable Atomistic Neural NetworksSchütt, Kristof T.; Gastegger, Michael; Tkatchenko, Alexandre; Müller, Klaus-Robert-
Unke_etal_SpookNet_2021.pdf.jpg14-Dec-2021SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effectsUnke, Oliver T.; Chmiela, Stefan; Gastegger, Michael; Schütt, Kristof T.; Sauceda, Huziel E.; Müller, Klaus-Robert-