| Automatic basis-set adaptation in projection-based embedding M Bensberg, J Neugebauer The Journal of Chemical Physics 150 (18), 184104, 2019 | 30 | 2019 |
| Direct orbital selection for projection-based embedding M Bensberg, J Neugebauer The Journal of Chemical Physics 150 (21), 214106, 2019 | 16 | 2019 |
| Density functional theory based embedding approaches for transition-metal complexes M Bensberg, J Neugebauer Physical Chemistry Chemical Physics 22 (45), 26093-26103, 2020 | 13 | 2020 |
| 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 | 12 | 2022 |
| 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 | 11 | 2020 |
| 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 | 9 | 2021 |
| 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 | 6 | 2021 |
| qcscine/puffin: Release 1.1. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... ETH Zurich, 2022 | 5 | 2022 |
| Concentration-Flux-Steered Mechanism Exploration with an Organocatalysis Application M Bensberg, M Reiher arXiv preprint arXiv:2212.14135, 2022 | 4 | 2022 |
| 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 | 4 | 2022 |
| qcscine/database: Release 1.1. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | 4 | 2022 |
| qcscine/chemoton: Release 2.2. 0 M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, P Türtscher, ... Zenodo, 2022 | 4 | 2022 |
| Corresponding active orbital spaces along chemical reaction paths M Bensberg, M Reiher The Journal of Physical Chemistry Letters 14 (8), 2112-2118, 2023 | 3 | 2023 |
| 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, 2023 | 3 | 2023 |
| 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 | 3 | 2022 |
| 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 | 3 | 2019 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... Zenodo, 2023 | 2 | 2023 |
| PROLINE Exploration Data Set M Bensberg, M Reiher Zenodo, 2023 | 1 | 2023 |
| qcscine/molassembler: Release 1.2. 1 M Bensberg, SA Grimmel, JG Sobez, M Steiner, JP Unsleber, M Reiher ETH Zurich, 2022 | 1 | 2022 |
| qcscine/autocas: Release 2.1. 0 M Bensberg, M Mörchen, CJ Stein, JP Unsleber, T Weymuth, M Reiher Zenodo, 2023 | | 2023 |
