Markus Reiher

29.3k total citations · 7 hit papers
350 papers, 19.9k citations indexed

About

Markus Reiher is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Inorganic Chemistry. According to data from OpenAlex, Markus Reiher has authored 350 papers receiving a total of 19.9k indexed citations (citations by other indexed papers that have themselves been cited), including 169 papers in Atomic and Molecular Physics, and Optics, 93 papers in Materials Chemistry and 72 papers in Inorganic Chemistry. Recurrent topics in Markus Reiher's work include Advanced Chemical Physics Studies (113 papers), Spectroscopy and Quantum Chemical Studies (74 papers) and Machine Learning in Materials Science (61 papers). Markus Reiher is often cited by papers focused on Advanced Chemical Physics Studies (113 papers), Spectroscopy and Quantum Chemical Studies (74 papers) and Machine Learning in Materials Science (61 papers). Markus Reiher collaborates with scholars based in Switzerland, Germany and United States. Markus Reiher's co-authors include Bernd A. Heß, Alexander Wolf, Johannes Neugebauer, Christopher J. Stein, Konrad H. Marti, Christoph R. Jacob, Sandra Luber, Barbara Kirchner, Gregor N. C. Simm and Alberto Baiardi and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Journal of the American Chemical Society and Angewandte Chemie International Edition.

In The Last Decade

Markus Reiher

348 papers receiving 19.7k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

MOLCAS 7: The Next Generation

2009 1.4k citations Markus Reiher et al. profile →
Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

2001 1.2k citations Markus Reiher et al. profile →
The generalized Douglas–Kroll transformation

2002 617 citations Markus Reiher et al. The Journal of Chemical Physics profile →
Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas–Kroll–Hess transformation up to arbitrary order

2004 508 citations Markus Reiher et al. The Journal of Chemical Physics profile →
Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set

2002 505 citations Markus Reiher et al. The Journal of Chemical Physics profile →
Quantum chemical calculation of vibrational spectra of large molecules—Raman and IR spectra for Buckminsterfullerene

2002 466 citations Markus Reiher et al. profile →
Elucidating reaction mechanisms on quantum computers

2017 417 citations Markus Reiher, Dave Wecker et al. profile →

Peers

Countries citing papers authored by Markus Reiher

Since Specialization

Citations

This map shows the geographic impact of Markus Reiher's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Markus Reiher with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Markus Reiher more than expected).

Fields of papers citing papers by Markus Reiher

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Markus Reiher. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Markus Reiher. The network helps show where Markus Reiher may publish in the future.

Co-authorship network of co-authors of Markus Reiher

This figure shows the co-authorship network connecting the top 25 collaborators of Markus Reiher. A scholar is included among the top collaborators of Markus Reiher based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Markus Reiher. Markus Reiher is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

#	Work	Indexed citations
1	Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies 2025 ·Journal of Chemical Theory and Computation ·(unknown), (unknown), (unknown), (unknown), (unknown), (unknown), F. Emil Thomasen, (unknown), Kresten Lindorff‐Larsen, Gemma C. Solomon, Thomas Weymuth, Markus Reiher	2
2	High Ground State Overlap via Quantum Embedding Methods 2025 ·(unknown), (unknown), (unknown), (unknown), (unknown), (unknown), Minsik Cho, Troy Van Voorhis, Markus Reiher, Matthias Christandl	7
3	CoRe optimizer: an all-in-one solution for machine learning 2024 ·Machine Learning Science and Technology ·(unknown), Markus Reiher	4
4	Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate 2024 ·Journal of the American Chemical Society ·Matthias Tinzl, (unknown), Peer R. E. Mittl, Martin Clémancey, Markus Reiher, Jonny Proppe, Jean‐Marc Latour, Donald Hilvert	8
5	Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning 2023 ·Digital Discovery ·(unknown), Jan P. Unsleber, Alain C. Vaucher, Thomas Weymuth, Daniel Probst, Teodoro Laino, Markus Reiher	7
6	Toward in silico Catalyst Optimization 2023 ·CHIMIA International Journal for Chemistry ·Matthew D. Wodrich, Rubén Laplaza, Nicolai Cramer, Markus Reiher, Clémence Corminbœuf	5
7	Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with Sparrow 2023 ·The Journal of Chemical Physics ·(unknown), (unknown), Alain C. Vaucher, Thomas Weymuth, Pavlo O. Dral, Markus Reiher	14
8	High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation 2023 ·The Journal of Chemical Physics ·Jan P. Unsleber, Hongbin Liu, Leopold Talirz, Thomas Weymuth, (unknown), Adam Grofe, Dave Wecker, Christopher J. Stein, Ajay Panyala, Bo Peng, Karol Kowalski, Matthias Troyer, Markus Reiher	13
9	Lifelong Machine Learning Potentials 2023 ·Journal of Chemical Theory and Computation ·(unknown), Markus Reiher	23
10	UniversalQM/MMapproaches for general nanoscale applications 2023 ·Wiley Interdisciplinary Reviews Computational Molecular Science ·(unknown), Markus Reiher	32
11	The Apparently Unreactive Substrate Facilitates the Electron Transfer for Dioxygen Activation in Rieske Dioxygenases 2022 ·Chemistry - A European Journal ·(unknown), (unknown), (unknown), Thomas B. Hofstetter, Markus Reiher	10
12	The (not so) simple prediction of enantioselectivity – a pipeline for high-fidelity computations 2022 ·Chemical Science ·Rubén Laplaza, (unknown), Matthew D. Wodrich, Markus Reiher, Clémence Corminbœuf	16
13	Quantum computing enhanced computational catalysis 2021 ·Physical Review Research ·(unknown), Guang Hao Low, Thomas Häner, Damian S. Steiger, Markus Reiher, Martin Roetteler, Matthias Troyer	166
14	Redox‐Active Chiroptical Switching in Mono‐ and Bis‐Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity 2018 ·Chemistry - A European Journal ·Chengshuo Shen, Monika Srebro‐Hooper, Thomas Weymuth, (unknown), (unknown), F. RAMIREZ, Belén Nieto‐Ortega, Juan Casado, Markus Reiher, Jochen Autschbach, Jeanne Crassous	25
15	Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and Ibuprofen 2016 ·The Journal of Physical Chemistry A ·(unknown), Jochen Autschbach, Markus Reiher	16
16	Local Spin Analysis and Chemical Bonding 2013 ·Chemistry - A European Journal ·Eloy Ramos‐Cordoba, Pedro Salvador, Markus Reiher	27
17	Wichtig für die Begriffsfindung in der Computerchemie 2008 ·Angewandte Chemie ·Markus Reiher	2
18	Atomistic approaches in modern biology : from quantum chemistry to molecular simulations 2007 ·Digital Access to Libraries (Université catholique de Louvain (UCL), l'Université de Namur (UNamur) and the Université Saint-Louis (USL-B)) ·Markus Reiher, Luca Bertini	38
19	Intrinsische Stickstoff‐Aktivierung an “nackten” Metallatomen 2006 ·Angewandte Chemie ·Hans‐Jörg Himmel, Markus Reiher	31
20	Experimental Evidence for the Existence of Neutral P6: A New Allotrope of Phosphorus 1999 ·Angewandte Chemie International Edition ·Detlef Schröder, Helmut Schwarz, (unknown), (unknown), P. JUTZI, Markus Reiher	1

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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