| Giant Huang–Rhys factor for electron capture by the iodine intersitial in perovskite solar cells LD Whalley, P Van Gerwen, JM Frost, S Kim, SN Hood, A Walsh Journal of the American Chemical Society 143 (24), 9123-9128, 2021 | 39 | 2021 |
| Physics-based representations for machine learning properties of chemical reactions P van Gerwen, A Fabrizio, MD Wodrich, C Corminboeuf Machine Learning: Science and Technology 3 (4), 045005, 2022 | 19 | 2022 |
| Carriercapture. jl: Anharmonic carrier capture S Kim, SN Hood, P van Gerwen, LD Whalley, A Walsh Journal of Open Source Software 5 (47), 2102, 2020 | 18 | 2020 |
| OSCAR: an extensive repository of chemically and functionally diverse organocatalysts S Gallarati, P van Gerwen, R Laplaza, S Vela, A Fabrizio, C Corminboeuf Chemical Science 13 (46), 13782-13794, 2022 | 17 | 2022 |
| Metric learning for kernel ridge regression: assessment of molecular similarity R Fabregat, P van Gerwen, M Haeberle, F Eisenbrand, C Corminboeuf Machine Learning: Science and Technology 3 (3), 035015, 2022 | 10 | 2022 |
| Genetic Algorithms for the Discovery of Homogeneous Catalysts S Gallarati, P Van Gerwen, AA Schoepfer, R Laplaza, C Corminboeuf Chimia 77 (1/2), 39-47, 2023 | 7 | 2023 |
| Reply to Comment on ‘Physics-based representations for machine learning properties of chemical reactions’ P van Gerwen, MD Wodrich, R Laplaza, C Corminboeuf Machine Learning: Science and Technology 4 (4), 048002, 2023 | 2 | 2023 |
| Benchmarking machine-readable vectors of chemical reactions on computed activation barriers P van Gerwen, KR Briling, Y Calvino Alonso, M Franke, C Corminboeuf Digital Discovery, 2024 | 1 | 2024 |
| A Genetic Optimization Strategy with Generality in Asymmetric Organocatalysis as Primary Target S Gallarati, P van Gerwen, R Laplaza, L Brey, A Makaveev, ... Chemical Science, 2024 | | 2024 |
| EquiReact: An equivariant neural network for chemical reactions P van Gerwen, KR Briling, C Bunne, VR Somnath, R Laplaza, A Krause, ... arXiv preprint arXiv:2312.08307, 2023 | | 2023 |
| LCMD S Bassetta, JT Blaskovits, L Bomble, EAG Bremond, K Briling, V Bujard, ... | | |
Rubén LaplazaLCMD EPFLVerified email at epfl.ch
