| 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 | 1002 | 2022 |
| Inverse design workflow discovers hole-transport materials tailored for perovskite solar cells J Wu, L Torresi, MM Hu, P Reiser, J Zhang, JS Rocha-Ortiz, L Wang, Z Xie, ... Science 386 (6727), 1256-1264, 2024 | 157 | 2024 |
| Navigating the unknown with AI: multiobjective Bayesian optimization of non-noble acidic OER catalysts KJ Jenewein, L Torresi, N Haghmoradi, A Kormányos, P Friederich, ... Journal of Materials Chemistry A 12 (5), 3072-3083, 2024 | 54 | 2024 |
| What is missing in autonomous discovery: Open challenges for the community PM Maffettone, P Friederich, SG Baird, B Blaiszik, KA Brown, SI Campbell, ... Digital Discovery 2 (6), 1644-1659, 2023 | 50 | 2023 |
| Integrated system built for small-molecule semiconductors via high-throughput approaches J Wu, J Zhang, M Hu, P Reiser, L Torresi, P Friederich, L Lahn, O Kasian, ... Journal of the American Chemical Society 145 (30), 16517-16525, 2023 | 32 | 2023 |
| MEGAN: Multi-explanation Graph Attention Network J Teufel, L Torresi, P Reiser, P Friederich World Conference on Explainable Artificial Intelligence, 338-360, 2023 | 11 | 2023 |
| Tau Lepton Identification With Graph Neural Networks at Future Electron–Positron Colliders S Giagu, L Torresi, M Di Filippo Frontiers in Physics 10, 909205, 2022 | 6 | 2022 |
| Symmetry-Aware Bayesian Flow Networks for Crystal Generation L Ruple, L Torresi, H Schopmans, P Friederich arXiv preprint arXiv:2502.03146, 2025 | 3 | 2025 |
| Quantifying the Intrinsic Usefulness of Attributional Explanations for Graph Neural Networks with Artificial Simulatability Studies J Teufel, L Torresi, P Friederich World Conference on Explainable Artificial Intelligence, 361-381, 2023 | 3 | 2023 |
| Generative models for crystalline materials H Metni, L Ruple, LN Walters, L Torresi, J Teufel, H Schopmans, ... Advanced Materials, e23620, 2026 | 1 | 2026 |
| Multi-stage Bayesian optimisation for dynamic decision-making in self-driving labs L Torresi, P Friederich Digital Discovery, 2026 | 1 | 2026 |
| A self-driving lab for solution-processed electrochromic thin films S Dahms, L Torresi, ST Bandesha, J Hansmann, H Röhm, A Colsmann, ... arXiv preprint arXiv:2512.05989, 2025 | 1 | 2025 |
| Shift and flip invariant CNNs for predicting laminar flow properties Y Koide, J Teufel, L Torresi, AJ Kaithakkal, A Stroh, P Friederich APL Machine Learning 4 (1), 2026 | | 2026 |
Pascal FriederichKarlsruhe Institute of TechnologyBestätigte E-Mail-Adresse bei kit.edu
Patrick ReiserPostDoc, KIT KarlsruheBestätigte E-Mail-Adresse bei kit.edu
Henrik SchopmansDoctoral Researcher | Scientific Machine Learning, Karlsruhe Institute of TechnologyBestätigte E-Mail-Adresse bei kit.edu
Houssam MetniPhD StudentBestätigte E-Mail-Adresse bei kit.edu
Chen ShaoKarlsruhe institute of technologyBestätigte E-Mail-Adresse bei kit.edu
Clint van Hoesel-SunEindhoven University of TechnologyBestätigte E-Mail-Adresse bei tue.nl
Timo SommerTrinity College Dublin (TCD)Bestätigte E-Mail-Adresse bei tcd.ie
André EberhardPhD Student, Karlsruhe Institute for TechnologyBestätigte E-Mail-Adresse bei kit.edu
Jianchang WuUniversity of Science and Technology of ChinaBestätigte E-Mail-Adresse bei ustc.edu.cn
Manman Hu 胡曼曼Forschungszentrum Jülich GmbH /Helmholtz-Institut Erlangen-Nürnberg für Erneuerbare Energien (IET-2)Bestätigte E-Mail-Adresse bei fz-juelich.de
Anastasia BarabashFriedrich-Alexander-Universität Erlangen-NürnbergBestätigte E-Mail-Adresse bei fau.de
Christoph J. BrabecFriedrich Alexander Universität Erlangen Nürnberg; Forschungszentrum JülichBestätigte E-Mail-Adresse bei fau.de
Navid HaghmoradiPostdoctoral Researcher, Karlsruhe Institute of Technology, Karlsruhe, GermanyBestätigte E-Mail-Adresse bei kit.edu
Jonas TeufelKarlsruher Institut of TechnologyBestätigte E-Mail-Adresse bei student.kit.edu
Stefano GiaguSapienza University of RomeBestätigte E-Mail-Adresse bei uniroma1.it