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Katja-Sophia Csizi
Katja-Sophia Csizi
Postdoctoral Researcher, IBM Research Zürich
Verified email at ibm.com
Title
Cited by
Cited by
Year
Universal QM/MM approaches for general nanoscale applications
KS Csizi, M Reiher
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (4), e1656, 2023
252023
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
92022
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
72021
qcscine/puffin: Release 1.2. 0
M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ...
Zenodo, 2023
52023
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
22024
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
22024
Quantum magnifying glass for chemistry at the nanoscale
KS Csizi, M Steiner, M Reiher
22023
qcscine/swoose: Release 1.0. 0
C Brunken, KS Csizi, M Reiher
ETH Zurich, Laboratory of Physical Chemistry, 2021
22021
Complex chemical reaction networks for future information processing
KS Csizi, E Lörtscher
Frontiers in Neuroscience 18, 1379205, 2024
12024
qcscine/utilities: Release 7.0. 0
A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ...
CERN, 2023
12023
SCINE READUCT 4.1. 0
C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, J SOBEZ, M STEINER, ...
12022
Nanoscale chemical reaction exploration with a quantum magnifying glass
KS Csizi, M Steiner, M Reiher
Nature Communications 15 (1), 5320, 2024
2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
CH Müller, M Steiner, JP Unsleber, T Weymuth, M Bensberg, KS Csizi, ...
arXiv preprint arXiv:2406.09541, 2024
2024
Quantum Magnifying Glass for Chemistry at the Nanoscale
M Reiher, KS Csizi, M Steiner
2023
qcscine/readuct: Release 5.0. 0
M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ...
Zenodo, 2023
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
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