| Universal QM/MM approaches for general nanoscale applications KS Csizi, M Reiher Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (4), e1656, 2023 | 22 | 2023 |
| qcscine/readuct, Release 4.0.0 C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... qcscine/readuct: Release 4.0.0 4, 2022 | 12* | 2022 |
| The apparently unreactive substrate facilitates the electron transfer for dioxygen activation in Rieske dioxygenases KS Csizi, L Eckert, C Brunken, TB Hofstetter, M Reiher Chemistry–A European Journal 28 (16), e202103937, 2022 | 8 | 2022 |
| Open Shells in Endohedral Clusters: Structure and Bonding in the [Fe2@Ge16]4– Anion and Comparison to Isostructural [Co2@Ge16]4– HWT Morgan, KS Csizi, YS Huang, ZM Sun, JE McGrady The Journal of Physical Chemistry A 125 (21), 4578-4588, 2021 | 6 | 2021 |
| qcscine/puffin: Release 1.2. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | 4 | 2023 |
| qcscine/swoose: Release 1.0. 0 C Brunken, KS Csizi, M Reiher ETH Zurich, Laboratory of Physical Chemistry, 2021 | 2 | 2021 |
| Complex chemical reaction networks for future information processing KS Csizi, E Lörtscher Frontiers in Neuroscience 18, 1379205, 2024 | 1 | 2024 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... CERN, 2023 | 1 | 2023 |
| SCINE READUCT 4.1. 0 C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, J SOBEZ, M STEINER, ... | 1 | 2022 |
| Automated preparation of nanoscopic structures: Graph‐based sequence analysis, mismatch detection, and pH‐consistent protonation with uncertainty estimates KS Csizi, M Reiher Journal of Computational Chemistry 45 (11), 761-776, 2024 | | 2024 |
| Quantum Magnifying Glass for Chemistry at the Nanoscale M Reiher, KS Csizi, M Steiner | | 2023 |
| Quantum Magnifying Glass for Chemistry at the Nanoscale KS Csizi, M Steiner, M Reiher | | 2023 |
| Autonomous Construction of Quantum Hybrid Models for Biochemical Applications KS Csizi ETH Zurich, 2023 | | 2023 |
| qcscine/core: Release 4.1. 0 F Bosia, C Brunken, KS Csizi, JG Sobez, M Steiner, JP Unsleber, ... CERN, 2023 | | 2023 |
| qcscine/xtb_wrapper: Release 3.0. 0 M Bensberg, KS Csizi, SA Grimmel, JG Sobez, M Steiner, P Türtscher, ... | | 2023 |
| SCINE READUCT 5.1. 0 M BENSBERG, C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, ... | | 2023 |
| qcscine/readuct: Release 5.0. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | | 2023 |
| qcscine/development-utils: Release 5.0. 1 KS Csizi, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | | 2022 |
| SCINE SWOOSE 1.0. 0 C BRUNKEN, KS CSIZI, M REIHER | | 2021 |
