| Universal QM/MM approaches for general nanoscale applications KS Csizi, M Reiher Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (4), e1656, 2023 | 35 | 2023 |
| 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 | 12 | 2022 |
| 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 |
| 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 | 8 | 2021 |
| Nanoscale chemical reaction exploration with a quantum magnifying glass KS Csizi, M Steiner, M Reiher Nature Communications 15 (1), 5320, 2024 | 6 | 2024 |
| 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, ... CERN, 2023 | 4 | 2023 |
| 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 | 3 | 2024 |
| Complex chemical reaction networks for future information processing KS Csizi, E Lörtscher Frontiers in Neuroscience 18, 1379205, 2024 | 3 | 2024 |
| qcscine/puffin: Release 1.2. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | 3 | 2023 |
| Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks CH Müller, M Steiner, JP Unsleber, T Weymuth, M Bensberg, KS Csizi, ... The Journal of Physical Chemistry A 128 (41), 9028-9044, 2024 | 2 | 2024 |
| Quantum magnifying glass for chemistry at the nanoscale KS Csizi, M Steiner, M Reiher | 2 | 2023 |
| SCINE ReaDuct 5.1. 0 M BENSBERG, C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, ... | 2 | 2023 |
| qcscine/swoose: Release 1.0. 0 C Brunken, KS Csizi, M Reiher ETH Zurich, Laboratory of Physical Chemistry, 2021 | 2 | 2021 |
| Mechanistic Insights Into Post‐Translational α‐Keto‐β‐Amino Acid Formation by a Radical S‐Adenosyl Methionine Peptide Splicease AL Vagstad, E Lakis, KS Csizi, W Walls, D Richter, K Soo Lee, R Stocker, ... Angewandte Chemie International Edition 64 (6), e202418054, 2025 | 1 | 2025 |
| qcscine/readuct: Release 6.0. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... | 1 | 2024 |
| qcscine/swoose: Release 2.1. 0 M Bensberg, C Brunken, KS Csizi, M Steiner, T Weymuth, M Reiher | 1 | 2024 |
| SCINE READUCT 4.1. 0 C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, J SOBEZ, M STEINER, ... | 1 | 2022 |
| qcscine/puffin: Release 2.0. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... | | 2024 |
| SCINE SWOOSE 2.1. 0 M BENSBERG, C BRUNKEN, KS CSIZI, M STEINER, T WEYMUTH, ... | | 2024 |
