Markus Reiher
Affiliations: | Department of Chemistry and Applied Bioscience | Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland |
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Parents
Sign in to add mentor| Jürgen Hinze | grad student | 1998 | Universität Bielefeld |
| Bernd Arthur Heß | grad student | 1999-2002 | Universität Erlangen-Nürnberg |
| Nicholas C. Handy | post-doc | Cambridge |
Children
Sign in to add trainee| Katharina Boguslawski | grad student | ETH Zürich | |
| Boris Le Guennic | grad student | ETH / Universität Zürich | |
| Sandra Luber | grad student | ETH Zürich | |
| Jonny Proppe | grad student | ETH Zürich | |
| Christopher J. Stein | grad student | ETH Zürich | |
| Carmen Herrmann | grad student | 2006 | ETH Zürich |
| Erik Donovan Hedegård | post-doc | ETH Zürich | |
| Edit Mátyus | post-doc | ETH Zürich | |
| Johannes Neugebauer | post-doc | ETH Zürich | |
| Pawel Tecmer | post-doc | ETH Zürich | |
| Christoph R. Jacob | post-doc | 2008-2010 | ETH Zürich |
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Publications
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| Tinzl M, Diedrich JV, Mittl PRE, et al. (2024) Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. Journal of the American Chemical Society. 146: 1957-1966 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Unsleber JP, Liu H, Talirz L, et al. (2023) High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. The Journal of Chemical Physics. 158: 084803 |
| Bensberg M, Türtscher PL, Unsleber JP, et al. (2022) Solvation Free Energies in Subsystem Density Functional Theory. Journal of Chemical Theory and Computation. 18: 723-740 |
| Ollitrault PJ, Baiardi A, Reiher M, et al. (2020) Hardware efficient quantum algorithms for vibrational structure calculations. Chemical Science. 11: 6842-6855 |
| Wehrli D, Génévriez M, Knecht S, et al. (2020) Complete characterization of the 3p Rydberg complex of a molecular ion: MgAr. I. Observation of the Mg(3p)Ar B state and determination of its structure and dynamics. The Journal of Chemical Physics. 153: 074310 |
| Aquilante F, Autschbach J, Baiardi A, et al. (2020) Modern quantum chemistry with [Open]Molcas. The Journal of Chemical Physics. 152: 214117 |
| Muolo A, Baiardi A, Feldmann R, et al. (2020) Nuclear-electronic all-particle density matrix renormalization group. The Journal of Chemical Physics. 152: 204103 |
| Hedegård ED, Knecht S, Kielberg JS, et al. (2020) Erratum: "Density matrix renormalization group with efficient dynamical electron correlation through range separation" [J. Chem. Phys. 142, 224108 (2015)]. Journal of Chemical Physics. 152: 159901 |
| Stein CJ, Reiher M. (2020) Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation. The Journal of Physical Chemistry. A |