| Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks JP Unsleber, SA Grimmel, M Reiher Journal of Chemical Theory and Computation 18 (9), 5393-5409, 2022 | 61 | 2022 |
| The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms SA Grimmel, M Reiher Faraday Discussions 220, 443-463, 2019 | 50 | 2019 |
| Gauging the performance of density functionals for lanthanide-containing molecules S Grimmel, G Schoendorff, AK Wilson Journal of Chemical Theory and Computation 12 (3), 1259-1266, 2016 | 50 | 2016 |
| Expansive Quantum Mechanical Exploration of Chemical Reaction Paths A Baiardi, SA Grimmel, M Steiner, PL Türtscher, JP Unsleber, ... Accounts of Chemical Research 55 (1), 35-43, 2021 | 36 | 2021 |
| On the Predictive Power of Chemical Concepts SA Grimmel, M Reiher Chimia 75 (4), 311-318, 2021 | 19 | 2021 |
| On the predictive power of chemical concepts SA Grimmel, M Reiher arXiv preprint arXiv:2102.01945, 2021 | 19 | 2021 |
| Reiher C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... M. qcscine/readuct: Release 4 (0), 2022 | 9 | 2022 |
| Reiher M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, PL Türtscher, ... M. qcscine/chemoton: Release 2 (0), 2022 | 9 | 2022 |
| Is it worthwhile to go beyond the local‐density approximation in subsystem density functional theory? SA Grimmel, TQ Teodoro, L Visscher International Journal of Quantum Chemistry 120 (21), e26111, 2020 | 7 | 2020 |
| SCINE—Software for chemical interaction networks T Weymuth, JP Unsleber, PL Türtscher, M Steiner, JG Sobez, CH Müller, ... The Journal of Chemical Physics 160 (22), 2024 | 6 | 2024 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... Zenodo, 2023 | 4 | 2023 |
| qcscine/database: Release 1.2. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, P Türtscher, JP Unsleber, ... Zenodo, 2023 | 4 | 2023 |
| qcscine/heron: Release 1.0. 0 M Bensberg, GP Brandino, Y Can, M Del, SA Grimmel, M Mesiti, ... Zenodo, 2022 | 4 | 2022 |
| qcscine/chemoton: Release 2.2. 0 M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, P Türtscher, ... Zenodo, 2022 | 4 | 2022 |
| qcscine/readuct: Release 3.0.0 C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... https://zenodo.org/record/5782849, 2021 | 4 | 2021 |
| qcscine/molassembler: Release 2.0. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher Zenodo, 2023 | 3 | 2023 |
| qcscine/puffin: Release 1.2. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | 3 | 2023 |
| qcscine/xtb_wrapper: Release 1.0. 2 SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | 3 | 2022 |
| SCINE READUCT 5.1. 0 M BENSBERG, C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, ... | 2 | 2023 |
| Automated Exploration of Chemical Reaction Networks SA Grimmel ETH Zurich, 2022 | 2 | 2022 |
