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Donald G. Truhlar
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2025
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Chemistry
USA
2026

D-Index & Metrics

Best Scientists

D-Index
202
Citations
246474
World Ranking
266
National Ranking
175

Chemistry

D-Index
204
Citations
261914
World Ranking
11
National Ranking
6

Donald G. Truhlar 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 Donald G. Truhlar 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: 1,599 publications — 100th percentile

100% of scientists in this discipline score the same or lower.

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

Donald G. Truhlar 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 Donald G. Truhlar 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: 204 D-Index — 100th percentile

100% of scientists in this discipline score the same or lower.

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

Research.com Recognitions

  • 2026 - Research.com Chemistry in United States Leader Award
  • 2025 - Research.com Best Scientists Award
  • 2025 - Research.com Chemistry in United States Leader Award
  • 2022 - Research.com Chemistry in United States Leader Award
  • 2016 - Earle K. Plyler Prize for Molecular Spectroscopy, American Physical Society
  • 2015 - Fellow of the American Academy of Arts and Sciences
  • 2009 - Fellow of the American Chemical Society
  • 2009 - Member of the National Academy of Sciences
  • 2006 - Peter Debye Award, American Chemical Society (ACS)
  • 1994 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1986 - Fellow of American Physical Society (APS) Citation For his many outstanding contributions to theoretical chemical dynamics and out understanding of chemical reactions leading to new understanding of phase transitions
  • 1973 - Fellow of Alfred P. Sloan Foundation

Overview

Donald G. Truhlar is affiliated with the University of Minnesota in the United States. Their research spans multiple fields primarily within physics and chemistry, with a focus on atomic and molecular physics, spectroscopy, materials chemistry, and atmospheric science.

The main fields of study that define their work are:

  • Physics and Astronomy
  • Chemistry

The subfields of study include:

  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry
  • Spectroscopy
  • Atmospheric Science
  • Physical and Theoretical Chemistry

The primary topics explored by Donald G. Truhlar focus on:

  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Photochemistry and Electron Transfer Studies
  • Atmospheric chemistry and aerosols
  • Spectroscopy and Laser Applications
  • Atmospheric Ozone and Climate

Notable recent publications illustrate a breadth of contributions to chemistry and computational materials science:

  • "Status and Challenges of Density Functional Theory," 2020, Trends in Chemistry
  • "The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry," 2023, Journal of Chemical Theory and Computation
  • "Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol," 2020, Nature Communications
  • "High-throughput predictions of metal-organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration," 2022, npj Computational Materials
  • "Unexpected "Spontaneous" Evolution of Catalytic, MOF-Supported Single Cu(II) Cations to Catalytic, MOF-Supported Cu(0) Nanoparticles," 2020, Journal of the American Chemical Society

Frequent collaborators in their work include Laura Gagliardi, Yinan Shu, Zoltán Varga, Xuefei Xu, and Matthew R. Hermes.

Donald G. Truhlar's work appears extensively in key scientific journals, with numerous publications in:

  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry A
  • Journal of the American Chemical Society
  • Computer Physics Communications
  • The Journal of Physical Chemistry Letters

The scientist has received multiple awards and recognitions, including:

  • Earle K. Plyler Prize for Molecular Spectroscopy, American Physical Society (2016)
  • Fellow of the American Academy of Arts and Sciences (2015)
  • Fellow of the American Chemical Society (2009)
  • Member of the National Academy of Sciences (2009)
  • Peter Debye Award, American Chemical Society (2006)
  • Fellow of the American Association for the Advancement of Science (1994)
  • Fellow of American Physical Society (1986) for contributions to theoretical chemical dynamics and understanding phase transitions
  • Fellow of Alfred P. Sloan Foundation (1973)

Best Publications

  • The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao;Donald G. Truhlar

  • Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

    Aleksandr V. Marenich;Christopher J. Cramer;Donald G. Truhlar

  • Density functionals with broad applicability in chemistry.

    Yan Zhao;Donald G. Truhlar

  • A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions.

    Yan Zhao;Donald G. Truhlar

  • Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions.

    Yan Zhao;Nathan E. Schultz;Donald G. Truhlar

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics.

    Christopher J. Cramer;Donald G. Truhlar

  • Variational Transition State Theory

    Donald G. Truhlar;Bruce C. Garrett

  • Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

    Dominik Marx;Jürg Hutter

  • Current status of transition-state theory

    Donald G. Truhlar;Bruce C. Garrett;Stephen J. Klippenstein

  • Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions

    Yan Zhao;Donald G. Truhlar

  • Chemical applications of atomic and molecular electrostatic potentials

    Peter Politzer;Donald G. Truhlar

  • Consistent van der Waals Radii for the Whole Main Group

    Manjeera Mantina;Adam C. Chamberlin;Rosendo Valero;Christopher J. Cramer

  • Density functional theory for transition metals and transition metal chemistry

    Christopher J. Cramer;Donald G. Truhlar

  • Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions.

    Yan Zhao;Donald G. Truhlar

  • Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states.

    Yan Zhao;Donald G. Truhlar

  • Adiabatic connection for kinetics

    Benjamin J. Lynch;Patton L. Fast;Maegan Harris;Donald G. Truhlar

  • Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

    I. M. Alecu;Jingjing Zheng;Yan Zhao;Donald G. Truhlar

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

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

  • Chemical Applications of Atomic and Molecular Electrostatic Potentials: "Reactivity, Structure, Scattering, And Energetics Of Organic, Inorganic, And Biological Systems"

    Peter Politzer;Donald G. Truhlar

Frequent Co-Authors

Christopher J. Cramer
Christopher J. Cramer UL Research Institutes
Bruce C. Garrett
Bruce C. Garrett United States Department of Energy
Laura Gagliardi
Laura Gagliardi University of Chicago
Yan Zhao
Yan Zhao Wuhan University of Technology
Jiali Gao
Jiali Gao University of Minnesota
Xiao He
Xiao He East China Normal University
Mark S. Gordon
Mark S. Gordon Iowa State University
Thanh N. Truong
Thanh N. Truong University of Utah
Aron Kuppermann
Aron Kuppermann California Institute of Technology
Omar K. Farha
Omar K. Farha Northwestern University

External Links

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Best Scientists Citing Donald G. Truhlar

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Kendall N. Houk

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Publications: 163

Stefan Grimme

Stefan Grimme

University of Bonn

Publications: 162

António J. C. Varandas

António J. C. Varandas

University of Coimbra

Publications: 151

Carlo Adamo

Carlo Adamo

Institut Universitaire de France

Publications: 144

Henry F. Schaefer

Henry F. Schaefer

University of Georgia

Publications: 137

George C. Schatz

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Northwestern University

Publications: 135

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Christopher J. Cramer

UL Research Institutes

Publications: 133

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John Z. H. Zhang

New York University

Publications: 131

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Publications: 123

Yu Lan

Yu Lan

Zhengzhou University

Publications: 110

William A. Goddard

William A. Goddard

California Institute of Technology

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