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Moritz Bensberg
Moritz Bensberg
Verified email at phys.chem.ethz.ch
Title
Cited by
Cited by
Year
Automatic basis-set adaptation in projection-based embedding
M Bensberg, J Neugebauer
The Journal of Chemical Physics 150 (18), 184104, 2019
342019
Direct orbital selection for projection-based embedding
M Bensberg, J Neugebauer
The Journal of Chemical Physics 150 (21), 214106, 2019
222019
The subsystem quantum chemistry program Serenity
N Niemeyer, P Eschenbach, M Bensberg, J Tölle, L Hellmann, L Lampe, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science, e1647, 2022
192022
Solvation free energies in subsystem density functional theory
M Bensberg, PL Türtscher, JP Unsleber, M Reiher, J Neugebauer
Journal of Chemical Theory and Computation 18 (2), 723-740, 2022
172022
Corresponding active orbital spaces along chemical reaction paths
M Bensberg, M Reiher
The Journal of Physical Chemistry Letters 14 (8), 2112-2118, 2023
152023
Density functional theory based embedding approaches for transition-metal complexes
M Bensberg, J Neugebauer
Physical Chemistry Chemical Physics 22 (45), 26093-26103, 2020
142020
qcserenity/serenity: Release 1.4. 0
D Barton, M Bensberg, M Böckers, T Dresselhaus, P Eschenbach, ...
Zenodo. https://doi. org/10.5281/ZENODO 5589628, 2021
122021
Orbital alignment for accurate projection-based embedding calculations along reaction paths
M Bensberg, J Neugebauer
Journal of Chemical Theory and Computation 16 (6), 3607-3619, 2020
122020
Concentration‐Flux‐Steered Mechanism Exploration with an Organocatalysis Application
M Bensberg, M Reiher
Israel Journal of Chemistry 63 (7-8), e202200123, 2023
112023
Direct orbital selection within the domain-based local pair natural orbital coupled-cluster method
M Bensberg, J Neugebauer
The Journal of Chemical Physics 155 (22), 224102, 2021
112021
qcscine/puffin: Release 1.2. 0
M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ...
Zenodo, 2023
52023
Orbital pair selection for relative energies in the domain-based local pair natural orbital coupled-cluster method
M Bensberg, J Neugebauer
The Journal of Chemical Physics 157 (6), 064102, 2022
52022
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry
Z Amanollahi, L Lampe, M Bensberg, J Neugebauer, M Feldt
Physical Chemistry Chemical Physics 25 (6), 4635-4648, 2023
42023
qcscine/database: Release 1.2. 0
M Bensberg, SA Grimmel, JG Sobez, M Steiner, P Türtscher, JP Unsleber, ...
Zenodo, 2023
32023
qcscine/chemoton: Release 2.2. 0
M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, P Türtscher, ...
ETH Zurich, 2022
32022
Erratum:“Automatic basis-set adaptation in projection-based embedding”[J. Chem. Phys. 150, 184104 (2019)]
M Bensberg, J Neugebauer
The Journal of Chemical Physics 151 (13), 139903, 2019
32019
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
Uncertainty-aware first-principles exploration of chemical reaction networks
M Bensberg, M Reiher
The Journal of Physical Chemistry A, 2024
22024
PROLINE Exploration Data Set
M Bensberg, M Reiher
Zenodo, 2023
12023
qcscine/utilities: Release 7.0. 0
A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ...
Zenodo, 2023
12023
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