Michael Gastegger
Impact in
- Computational Theory and Mathematics top 0.5%
- Computational Drug Discovery Methods
- Materials Chemistry top 2%
- Machine Learning in Materials Science
- X-ray Diffraction in Crystallography
Papers in
-
- Machine Learning in Materials Science 21
- X-ray Diffraction in Crystallography 2
- Electronic and Structural Properties of Oxides 2
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- Protein Structure and Dynamics 7
- Metabolomics and Mass Spectrometry Studies 2
- Co-authors
- Alexandre Tkatchenko (6 shared papers)Kristof T. Schütt (10 shared papers)Klaus‐Robert Müller (7 shared papers)Philipp Marquetand (6 shared papers)Stefan Chmiela (3 shared papers)K. Müller (2 shared papers)John A. Keith (1 shared paper)Bingqing Cheng (1 shared paper)
- Journals
- The Journal of Chemical Physics (4 papers)Nature Communications (3 papers)Journal of Chemical Theory and Computation (2 papers)Nature Chemistry (1 paper)Chemical Reviews (1 paper)
- Partner nations
- GermanyAustriaSouth Korea
In The Last Decade
Michael Gastegger
23 papers receiving 2.3k citations
Michael Gastegger's Hit Papers
Peers
Comparison fields: 5 of 115
- Computational Theory and Mathematics 886
- Materials Chemistry 1.8k
- Structural Biology 29
- Physical and Theoretical Chemistry 166
- Catalysis 127
Countries citing papers authored by Michael Gastegger
This map shows the geographic impact of Michael Gastegger's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Michael Gastegger with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Michael Gastegger more than expected).
Fields of papers citing papers by Michael Gastegger
This network shows the impact of papers produced by Michael Gastegger. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Michael Gastegger. The network helps show where Michael Gastegger may publish in the future.
Co-authors
The 25 scholars most cited alongside Michael Gastegger, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.
All Works
Showing the 20 most-cited of 24 papers — load more, or switch the sort, to bring in the rest.
| # | Work | ||
|---|---|---|---|
| 1 | Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems Hit paper breakdown → | 2021 | 583 |
| 2 | SchNetPack: A Deep Learning Toolbox For Atomistic Systems Hit paper breakdown → | 2018 | 320 |
| 3 | Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions Hit paper breakdown → | 2019 | 307 |
| 4 | SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects Hit paper breakdown → | 2021 | 230 |
| 5 | 2018 | 210 | |
| 6 | 2022 | 135 | |
| 7 | 2020 | 132 | |
| 8 | 2015 | 94 | |
| 9 | Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments Hit paper breakdown → | 2024 | 76 |
| 10 | 2023 | 58 | |
| 11 | 2016 | 47 | |
| 12 | 2020 | 34 | |
| 13 | 2015 | 33 | |
| 14 | 2022 | 33 | |
| 15 | 2023 | 9 | |
| 16 | 2018 | 7 | |
| 17 | 2023 | 7 | |
| 18 | 2025 | 6 | |
| 19 | Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules | 2019 | 6 |
| 20 | Equivariant message passing for the prediction of tensorial properties and molecular spectra | 2021 | 2 |
About Michael Gastegger
Michael Gastegger is a scholar working on Materials Chemistry, Molecular Biology, Computational Theory and Mathematics, Atomic and Molecular Physics, and Optics and Spectroscopy, having authored 24 papers that have together received 2.3k indexed citations. Recurring topics across this work include Machine Learning in Materials Science (21 papers), Computational Drug Discovery Methods (12 papers), Protein Structure and Dynamics (7 papers), X-ray Diffraction in Crystallography (2 papers), Metabolomics and Mass Spectrometry Studies (2 papers), Electronic and Structural Properties of Oxides (2 papers), Spectroscopy and Quantum Chemical Studies (2 papers) and Traditional and Medicinal Uses of Annonaceae (1 paper). The work is most often cited by research in Computational Theory and Mathematics (886 citations), Materials Chemistry (1.8k citations), Structural Biology (29 citations), Physical and Theoretical Chemistry (166 citations) and Catalysis (127 citations). Michael Gastegger has collaborated with scholars based in Germany, Austria and South Korea. Frequent co-authors include Alexandre Tkatchenko, Kristof T. Schütt, Klaus‐Robert Müller, Philipp Marquetand, Stefan Chmiela, K. Müller, John A. Keith, Bingqing Cheng, Valentín Vassilev-Galindo and Reinhard J. Maurer. Their work appears in journals such as The Journal of Chemical Physics, Nature Communications, Journal of Chemical Theory and Computation, Nature Chemistry and Chemical Reviews.
Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.