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Christoph Brunken
Christoph Brunken
Verified email at phys.chem.ethz.ch
Title
Cited by
Cited by
Year
Self-parametrizing system-focused atomistic models
C Brunken, M Reiher
Journal of chemical theory and computation 16 (3), 1646-1665, 2020
302020
Automated construction of quantum–classical hybrid models
C Brunken, M Reiher
Journal of Chemical Theory and Computation 17 (6), 3797-3813, 2021
252021
Impact of metal ion’s charge on the interatomic Coulombic decay widths in microsolvated clusters
V Stumpf, C Brunken, K Gokhberg
The Journal of Chemical Physics 145 (10), 2016
182016
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
Reiher
C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ...
M. qcscine/readuct: Release 4 (0), 2022
92022
Reiher
F Bosia, T Husch, CH Müller, S Polonius, JG Sobez, M Steiner, ...
M. qcscine/utilities: Release 2 (0), 0, 2020
72020
qcscine/puffin: Release 1.2. 0
M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ...
Zenodo, 2023
52023
qcscine/readuct: Release 3.0. 0
C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ...
ETH Zurich, Laboratory of Physical Chemistry, 2021
52021
qcscine/swoose: Release 1.0. 0
C Brunken, KS Csizi, M Reiher
ETH Zurich, Laboratory of Physical Chemistry, 2021
22021
qcscine/utilities: Release 3.0. 1
F Bosia, C Brunken, SA Grimmel, MP Haag, MA Heuer, GN Simm, ...
CERN, 2020
22020
qcscine/utilities: Release 7.0. 0
A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ...
CERN, 2023
12023
Machine learning of force fields towards molecular dynamics simulations of proteins at DFT accuracy
C Brunken, S Boyer, M Omar, BN Diallo, K Beguir, NL Carranza, O Bent
ICLR 2024 Workshop on Generative and Experimental Perspectives for …, 2023
12023
SCINE READUCT 4.1. 0
C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, J SOBEZ, M STEINER, ...
12022
qcscine/core: Release 3.0. 1
F Bosia, C Brunken, JG Sobez, JP Unsleber, M Reiher
CERN, 2020
12020
Protein binding affinity prediction under multiple substitutions applying eGNNs on Residue and Atomic graphs combined with Language model information: eGRAL
A Fiorellini-Bernardis, S Boyer, C Brunken, B Diallo, K Beguir, ...
arXiv preprint arXiv:2405.02374, 2024
2024
Supporting Information for the Journal Article" Automated Construction of Quantum–Classical Hybrid Models"
C Brunken, M Reiher
CERN, 2024
2024
Supporting Information for the Journal Article" Self-Parametrizing System-Focused Atomistic Models"
C Brunken, M Reiher
CERN, 2024
2024
qcscine/readuct: Release 5.0. 0
M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ...
Zenodo, 2023
2023
qcscine/core: Release 4.1. 0
F Bosia, C Brunken, KS Csizi, JG Sobez, M Steiner, JP Unsleber, ...
CERN, 2023
2023
SCINE READUCT 5.1. 0
M BENSBERG, C BRUNKEN, KS CSIZI, S GRIMMEL, S GUGLER, ...
2023
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