| Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis M Steiner, M Reiher Topics in catalysis 65 (1), 6-39, 2022 | 34 | 2022 |
| 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 | 21 | 2021 |
| Quantum Chemical Microsolvation by Automated Water Placement M Steiner, T Holzknecht, M Schauperl, M Podewitz Molecules 26 (6), 1793, 2021 | 18 | 2021 |
| Reiher F Bosia, C Brunken, SA Grimmel, MP Haag, MA Heuer, GN Simm, ... M. qcscine/utilities: Release 2 (0), 0, 2020 | 7 | 2020 |
| qcscine/readuct Release 2.0. 0 C Brunken, M Steiner, JP Unsleber, AC Vaucher, T Weymuth ETH Zurich, Laboratory of Physical Chemistry, 2020 | 7* | 2020 |
| qcscine/sparrow: Release 3.0. 0 F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ... ETH Zurich, Laboratory of Physical Chemistry, 2021 | 6 | 2021 |
| qcscine/puffin: Release 1.1. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... ETH Zurich, 2022 | 5 | 2022 |
| qcscine/readuct: Release 4.0. 0 C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... ETH Zurich, 2022 | 5 | 2022 |
| qcscine/database: Release 1.1. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 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/xtb_wrapper: Release 1.0. 2 SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | 3 | 2022 |
| qcscine/utilities: Release 3.0. 1 F Bosia, C Brunken, SA Grimmel, MP Haag, MA Heuer, GN Simm, ... Zenodo, 2020 | 3 | 2020 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... Zenodo, 2023 | 2 | 2023 |
| qcscine/molassembler: Release 1.2. 1 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | 1 | 2022 |
| SCINE READUCT 4.1. 0 C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, J SOBEZ, M STEINER, ... | 1 | 2022 |
| Navigating chemical reaction space with a steering wheel M Steiner, M Reiher arXiv preprint arXiv:2308.16499, 2023 | | 2023 |
| SCINE READUCT 5.0. 0 M BENSBERG, C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, ... | | 2023 |
| qcscine/chemoton: Release 3.0. 0 M Bensberg, SA Grimmel, L Lang, GN Simm, JG Sobez, M Steiner, ... Zenodo, 2023 | | 2023 |
| qcscine/readuct: Release 5.0. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | | 2023 |
| qcscine/molassembler: Release 2.0. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher Zenodo, 2023 | | 2023 |
