Kristof T Schütt

3PUBLICATIONS
3CO-AUTHORS
Statistical mechanics in chemistryTheoretical quantum chemistryDeep learning
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Publications (3)

|Jul 09, 2021
Perspective on integrating machine learning into computational chemistry and materials science.

Julia Westermayr, Michael Gastegger, Kristof T Schütt

|Aug 06, 2020
A deep neural network for molecular wave functions in quasi-atomic minimal basis representation.

M Gastegger, A McSloy, M Luya

|Jul 02, 2018
SchNet - A deep learning architecture for molecules and materials.

K T Schütt, H E Sauceda, P-J Kindermans

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