Kristof T. Schütt

SchNet – A deep learning architecture for molecules and materials

Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans et al. · The Journal of Chemical Physics · 2018 · 2.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Quantum-chemical insights from deep tensor neural networks

Kristof T. Schütt, Farhad Arbabzadah, Stefan Chmiela et al. · Nature Communications · 2017 · 1.5K citations · Full text

Natural Sciences, Bioinformatics, Chemistry +17

Machine learning of accurate energy-conserving molecular force fields

Stefan Chmiela, Alexandre Tkatchenko, Huziel E. Sauceda et al. · Science Advances · 2017 · 1.2K citations · Full text

Natural Sciences, Chemistry, Physics +17

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

Kristof T. Schütt, Henning Glawe, Felix Brockherde et al. · Physical Review B · 2014 · 485 citations · Full text

Natural Sciences, Materials Science, Physics +16

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

Kristof T. Schütt, Michael Gastegger, Alexandre Tkatchenko et al. · Nature Communications · 2019 · 485 citations · Full text

Natural Sciences, Chemistry, Materials Science +17