World's Best Scientists 2026 revealed!
Markus Reiher

Markus Reiher

D-Index & Metrics

Chemistry

D-Index
93
Citations
35776
World Ranking
1768
National Ranking
34

Markus Reiher publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Markus Reiher sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 407 publications — 81st percentile

81% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Markus Reiher D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Markus Reiher sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 93 D-Index — 90th percentile

90% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Overview

Markus Reiher is affiliated with ETH Zurich in Switzerland, focusing on research in the fields of Physics and Astronomy. Their work predominantly addresses subfields such as Atomic and Molecular Physics, and Optics, Materials Chemistry, Molecular Biology, Computational Theory and Mathematics, and Artificial Intelligence.

The scientist's research topics cover a diverse range of areas including Machine Learning in Materials Science, Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Protein Structure and Dynamics, Quantum Computing Algorithms and Architecture, as well as Catalysis and Oxidation Reactions.

Markus Reiher has contributed to numerous scientific publications. Notable recent papers include:

  • Modern quantum chemistry with OpenMolcas, 2020, The Journal of Chemical Physics
  • The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges, 2020, The Journal of Chemical Physics
  • The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, 2023, Journal of Chemical Theory and Computation
  • Quantum computing enhanced computational catalysis, 2021, Physical Review Research
  • Hardware efficient quantum algorithms for vibrational structure calculations, 2020, Chemical Science

Frequent collaborators in their research include Alberto Baiardi, Thomas Weymuth, Moritz Bensberg, Jan P. Unsleber, and Miguel Steiner.

Markus Reiher's work is regularly published in a variety of venues, with frequent publications in:

  • arXiv (Cornell University)
  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry A

Best Publications

  • Software news and update MOLCAS 7 : The Next Generation

    Francesco Aquilante;Luca De Vico;Nicolas Ferré;Giovanni Ghigo

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

    Markus Reiher;Oliver Salomon;Bernd Artur Hess

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • Elucidating reaction mechanisms on quantum computers

    Markus Reiher;Nathan Wiebe;Krysta M. Svore;Dave Wecker

  • The generalized Douglas–Kroll transformation

    Alexander Wolf;Markus Reiher;Bernd Artur Hess

  • Assertion and validation of the performance of the B3LYP* functional for the first transition metal row and the G2 test set

    Oliver Salomon;Markus Reiher;Bernd Artur Hess

  • Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order.

    Markus Reiher;Alexander Wolf

  • Quantum chemical calculation of vibrational spectra of large molecules—Raman and IR spectra for Buckminsterfullerene

    Johannes Neugebauer;Markus Reiher;Carsten Kind;Bernd A. Hess

  • Exact decoupling of the Dirac Hamiltonian. I. General theory

    Markus Reiher;Alexander Wolf

  • Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

    Markus Reiher;Alexander Wolf

  • Theoretical study of the Fe(phen)(2)(NCS)(2) spin-crossover complex with reparametrized density functionals.

    Markus Reiher

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

  • Relativistic Quantum Chemistry

    Markus Reiher;Alexander Wolf

  • Automated Selection of Active Orbital Spaces.

    Christopher J. Stein;Markus Reiher

  • Exact decoupling of the relativistic Fock operator

    Daoling Peng;Markus Reiher

  • The Density Matrix Renormalization Group Algorithm in Quantum Chemistry

    Konrad Heinrich Marti;Markus Reiher

  • Douglas–Kroll–Hess Theory: a relativistic electrons-only theory for chemistry

    Markus Reiher

  • The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

    Alberto Baiardi;Markus Reiher

  • New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals.

    Thomas Weymuth;Erik P. A. Couzijn;Peter Chen;Markus Reiher

  • Spin in density‐functional theory

    Christoph R. Jacob;Markus Reiher

  • Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters.

    Konrad H. Marti;Irina Malkin Ondík;Gerrit Moritz;Markus Reiher

Frequent Co-Authors

Johannes Neugebauer
Johannes Neugebauer University of Münster
Christoph R. Jacob
Christoph R. Jacob Technische Universität Braunschweig
Barbara Kirchner
Barbara Kirchner University of Bonn
Helmar Görls
Helmar Görls Friedrich Schiller University Jena
Matthias Westerhausen
Matthias Westerhausen Friedrich Schiller University Jena
Roland Lindh
Roland Lindh Uppsala University
Jochen Autschbach
Jochen Autschbach University at Buffalo, State University of New York
Matthias Troyer
Matthias Troyer Microsoft (United States)
Frank W. Heinemann
Frank W. Heinemann University of Erlangen-Nuremberg
Dieter Sellmann
Dieter Sellmann University of Erlangen-Nuremberg

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