Concepedia

Michael Gastegger

MG

Statistics

Publications

26

Citations

3.2K

H-Index

21

Active since

2015

Affiliations

Technische Universität Berlin(Current)

University of Vienna

Korea University

University of Luxembourg

Max Planck Institute for Informatics

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

ORCID

Top concepts

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 · 468 citations · Full text

SchNetPack: A Deep Learning Toolbox For Atomistic Systems

Kristof T. Schütt, Pan Kessel, Michael Gastegger et al. · Journal of Chemical Theory and Computation · 2018 · 434 citations · Full text

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

Oliver T. Unke, Stefan Chmiela, Michael Gastegger et al. · Nature Communications · 2021 · 293 citations · Full text

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 · 288 citations · Full text

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

Kristof T. Schütt, Oliver T. Unke, Michael Gastegger · arXiv (Cornell University) · 2021 · 263 citations · Full text

, , +19

1–5 of 26