| 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 | 459 | 2022 |
| Twisting of Porphyrin by Assembly in a Metal‐Organic Framework yielding Chiral Photoconducting Films for Circularly‐Polarized‐Light Detection C Li, H Schopmans, L Langer, S Marschner, A Chandresh, J Bürck, ... Angewandte Chemie International Edition 62 (10), e202217377, 2023 | 21 | 2023 |
| Quantitative analysis of spectroscopic low energy electron microscopy data: High-dynamic range imaging, drift correction and cluster analysis TA de Jong, DNL Kok, AJH van der Torren, H Schopmans, RM Tromp, ... Ultramicroscopy 213, 112913, 2020 | 16 | 2020 |
| Synthesis and Characterization of High‐Entropy CrMoNbTaVW Thin Films Using High‐Throughput Methods S Schweidler, H Schopmans, P Reiser, E Boltynjuk, JJ Olaya, ... Advanced Engineering Materials 25 (2), 2200870, 2023 | 10 | 2023 |
| Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms H Schopmans, P Reiser, P Friederich Digital Discovery 2 (5), 1414-1424, 2023 | 5 | 2023 |
| Conditional normalizing flows for active learning of coarse-grained molecular representations H Schopmans, P Friederich arXiv preprint arXiv:2402.01195, 2024 | 1 | 2024 |
| Symmetry-Aware Bayesian Flow Networks for Crystal Generation L Ruple, L Torresi, H Schopmans, P Friederich arXiv preprint arXiv:2502.03146, 2025 | | 2025 |
| Temperature-Annealed Boltzmann Generators H Schopmans, P Friederich arXiv preprint arXiv:2501.19077, 2025 | | 2025 |
| Side-chain-induced changes in aminated chitosan: Insights from molecular dynamics simulations H Schopmans, T Utesch, P Théato, MA Mroginski, M Kozlowska International Journal of Biological Macromolecules 282, 136159, 2024 | | 2024 |
