| Graph neural networks for materials science and chemistry P Reiser, M Neubert, A Eberhard, L Torresi, C Zhou, C Shao, H Metni, ... Communications Materials 3 (1), 93, 2022 | 405 | 2022 |
| High-throughput screening of multifunctional nanocoatings based on combinations of polyphenols and catecholamines F Behboodi-Sadabad, S Li, W Lei, Y Liu, T Sommer, P Friederich, ... Materials Today Bio 10, 100108, 2021 | 17 | 2021 |
| 3DSC-a dataset of superconductors including crystal structures T Sommer, R Willa, J Schmalian, P Friederich Scientific Data 10 (1), 816, 2023 | 13 | 2023 |
| Graph neural networks for materials science and chemistry. Commun Mater 3: 93 P Reiser, M Neubert, A Eberhard, L Torresi, C Zhou, C Shao, H Metni, ... | 10 | 2022 |
| Efficient Mapping of CO Adsorption on Cu (1–x) M x Bimetallic Alloys via Machine Learning M Salomone, MR Fiorentin, F Risplendi, F Raffone, T Sommer, ... ChemRxiv, 2023 | 2 | 2023 |
| 3DSC-A New Dataset of Superconductors Including Crystal Structures T Sommer, R Willa, J Schmalian, P Friederich arXiv preprint arXiv:2212.06071, 2022 | 1 | 2022 |
| Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases T Sommer, C Clarke, M García-Melchor Chemical Science, 2025 | | 2025 |
| Anti-Friedel-Crafts alkylation via electron donor-acceptor photoinitiated autocatalysis DM Vahey, M Mu, SA Bonke, T Sommer, P Vangal, C Mallia, ... | | 2024 |
| DART: Unlocking Coordination Chemistry Beyond the Cambridge Structural Database C Clarke, T Sommer, F Kleuker, M García-Melchor | | 2024 |
| Efficient mapping of CO2RR intermediates adsorption energies on Cu1-xMx bimetallic alloys via Machine Learning M Salomone, F Risplendi, M Re Fiorentin, F Raffone, A Cañete Arché, ... Bulletin of the American Physical Society, 2024 | | 2024 |
| Efficient mapping of CO adsorption on Cu 1− x M x bimetallic alloys via machine learning M Salomone, MR Fiorentin, F Risplendi, F Raffone, T Sommer, ... Journal of Materials Chemistry A, 2024 | | 2024 |
| Materials Today Bio F Behboodi-Sadabad, S Li, W Lei, Y Liu, T Sommer, P Friederich, ... | | |
Pascal FriederichKarlsruhe Institute of Technology在 kit.edu 的电子邮件经过验证
