Concepedia

Michael Gastegger

MG

Statistics

Publications

26

Citations

3.5K

H-Index

21

Active since

2015

Affiliations

Technische Universität Berlin(Current)

University of Vienna

Korea University

Max Planck Institute for Informatics

University of Luxembourg

Michael Gastegger is an author at Technische Universität Berlin specializing in natural sciences, chemistry, and computational chemistry.

ORCID

Publications per year

2015–2025

26

Publications

26

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

, , +17

SchNetPack: A Deep Learning Toolbox For Atomistic Systems

Kristof T. Schütt, Pan Kessel, Michael Gastegger et al. · Journal of Chemical Theory and Computation · 2018 · 450 citations · Full text

, , +17

SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects

Oliver T. Unke, Stefan Chmiela, Michael Gastegger et al. · Nature Communications · 2021 · 321 citations · Full text

, , +17

wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials

Michael Gastegger, Ludwig Schwiedrzik, Marius R. Bittermann et al. · The Journal of Chemical Physics · 2018 · 294 citations · Full text

, , +15

Equivariant message passing for the prediction of tensorial properties and molecular spectra

Kristof T. Schütt, Oliver T. Unke, Michael Gastegger · arXiv (Cornell University) · 2021 · 268 citations · Full text

, , +17

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