Kristof T Schütt (K T Schütt)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 11

Top Venues

The Journal of chemical physics

Science advances

Nature communications

Chemical science

Technische Universität Berlin

Technische Universität Berlin (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Technische Universität Berlin

Germany

Research Assistant :: Machine Learning

Education History

Technische Universität Berlin

Germany

PHD :: Machine Learning

Publications

Kristof T Schütt, Stefaan S P Hessmann, Niklas W A Gebauer, Jonas Lederer, Michael Gastegger
SchNetPack 2.0: A neural network toolbox for atomistic machine learning. The Journal of chemical physics 158 (14) (2023)
Niklas W A Gebauer, Michael Gastegger, Stefaan S P Hessmann, Klaus-Robert Müller, Kristof T Schütt
Inverse design of 3d molecular structures with conditional generative neural networks. Nature communications 13 (1) (2022)
Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, Michael Gastegger, Igor Poltavsky, Kristof T Schütt, Alexandre Tkatchenko, Klaus-Robert Müller
Machine Learning Force Fields. Chemical reviews 121 (16) (2021)
Michael Gastegger, Kristof T Schütt, Klaus-Robert Müller
Machine learning of solvent effects on molecular spectra and reactions. Chemical science 12 (34) (2021)
Julia Westermayr, Michael Gastegger, Kristof T Schütt, Reinhard J Maurer
Perspective on integrating machine learning into computational chemistry and materials science. The Journal of chemical physics 154 (23) (2021)
Michael Gastegger, A McSloy, M Luya, Kristof T Schütt, Reinhard J Maurer
A deep neural network for molecular wave functions in quasi-atomic minimal basis representation. The Journal of chemical physics 153 (4) (2020)
Philipp Leinen, Malte Esders, Kristof T Schütt, Christian Wagner, Klaus-Robert Müller, F Stefan Tautz
Autonomous robotic nanofabrication with reinforcement learning. Science advances 6 (36) (2020)
Kristof T Schütt, M Gastegger, A Tkatchenko, K-R Müller, R J Maurer
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions. Nature communications 10 (1) (2019)
Kristof T Schütt, P Kessel, M Gastegger, K A Nicoli, Alexandre Tkatchenko, K-R Müller
SchNetPack: A Deep Learning Toolbox For Atomistic Systems. Journal of chemical theory and computation 15 (1) (2018)
Kristof T Schütt, H E Sauceda, P-J Kindermans, A Tkatchenko, K-R Müller
SchNet - A deep learning architecture for molecules and materials. The Journal of chemical physics 148 (24) (2018)
Stefan Chmiela, Alexandre Tkatchenko, Huziel E Sauceda, Igor Poltavsky, Kristof T Schütt, Klaus-Robert Müller
Machine learning of accurate energy-conserving molecular force fields. Science advances 3 (5) (2017)

Kristof T Schütt.css-eqlu8i{font-size:small;padding-left:4px;} (K T Schütt)

Publication Activity (10 Years)

Top Topics

Top Venues

Kristof T Schütt (K T Schütt)