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T. Daniel Crawford

T. Daniel Crawford

Virginia Tech
United States

D-Index & Metrics

Chemistry

D-Index
45
Citations
12081
World Ranking
16247
National Ranking
4048

T. Daniel Crawford 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 T. Daniel Crawford 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: 192 publications — 30th percentile

30% of scientists in this discipline score the same or lower.

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

T. Daniel Crawford 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 T. Daniel Crawford 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: 45 D-Index — 10th percentile

10% 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

  • 2015 - Fellow of the American Chemical Society

Overview

T. Daniel Crawford is affiliated with Virginia Tech in the United States and has contributed extensively to the fields of atomic and molecular physics, optics, spectroscopy, materials chemistry, physical and theoretical chemistry, and molecular biology. Their research spans multiple subfields, focusing notably on quantum chemical studies and advanced chemical physics.

The scientist's research topics include:

  • Spectroscopy and Quantum Chemical Studies
  • Advanced Chemical Physics Studies
  • Molecular Spectroscopy and Chirality
  • Machine Learning in Materials Science
  • Spectroscopy and Laser Applications
  • Various Chemistry Research Topics
  • Porphyrin and Phthalocyanine Chemistry

They have published frequently in several key scientific venues, indicating a strong presence in the physical chemistry community. These venues include:

  • The Journal of Physical Chemistry A
  • The Journal of Physical Chemistry B
  • The Journal of Physical Chemistry C
  • arXiv (Cornell University)
  • Journal of Chemical Theory and Computation

Among their recent publications are:

  • "P SI4 1.4: Open-source software for high-throughput quantum chemistry," 2020, The Journal of Chemical Physics
  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science," 2022, Physical Chemistry Chemical Physics
  • "The MolSSI QCA rchive project: An open-source platform to compute, organize, and share quantum chemistry data," 2020, Wiley Interdisciplinary Reviews Computational Molecular Science
  • "Machine-Learning Coupled Cluster Properties through a Density Tensor Representation," 2020, The Journal of Physical Chemistry A
  • "The need to implement FAIR principles in biomolecular simulations," 2025, Nature Methods

Frequent collaborators of T. Daniel Crawford include Joan-Emma Shea, Gregory V. Hartland, Martin T. Zanni, William Aumiller, and Barbara Kirchner. These partnerships highlight a network of joint research efforts across overlapping fields.

In recognition of professional contributions, the scientist received the title of Fellow of the American Chemical Society in 2015.

Best Publications

  • Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

    Robert M. Parrish;Lori A. Burns;Daniel G. A. Smith;Andrew C. Simmonett

  • Psi4: an open-source ab initio electronic structure program

    Justin M. Turney;Andrew C. Simmonett;Robert M. Parrish;Edward G. Hohenstein

  • An Introduction to Coupled Cluster Theory for Computational Chemists

    T. Daniel Crawford;Henry F. Schaefer

  • Psi4 1.4: Open-source software for high-throughput quantum chemistry

    Daniel G. A. Smith;Lori A. Burns;Andrew C. Simmonett;Robert M. Parrish

  • Ab initio calculation of molecular chiroptical properties

    T. Daniel. Crawford

  • PSI3: An open‐source Ab Initio electronic structure package

    T. Daniel Crawford;C. David Sherrill;Edward F. Valeev;Justin T. Fermann

  • The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra.

    T. Daniel Crawford;Mary C. Tam;Micah L. Abrams

  • The balance between theoretical method and basis set quality: A systematic study of equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared intensities

    J. R. Thomas;Bradley J. Deleeuw;George Vacek;T. D. Crawford

  • Sources of error in electronic structure calculations on small chemical systems.

    David Feller;Kirk A. Peterson;T. Daniel Crawford

  • Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry

    T. Daniel Crawford;Elfi Kraka;John F. Stanton;Dieter Cremer

  • M2@C79N (M = Y, Tb): isolation and characterization of stable endohedral metallofullerenes exhibiting M-M bonding interactions inside aza[80]fullerene cages.

    Zuo T;Xu L;Beavers Cm;Olmstead Mm

  • INVESTIGATION OF AN ASYMMETRIC TRIPLE-EXCITATION CORRECTION FOR COUPLED-CLUSTER ENERGIES

    T. Daniel Crawford;John F. Stanton

  • Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.

    Edward F. Valeev;T. Daniel Crawford

  • Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

    Daniel G. A. Smith;Lori A. Burns;Dominic A. Sirianni;Daniel R. Nascimento

  • Hartree-Fock orbital instability envelopes in highly correlated single-reference wave functions

    T. Daniel Crawford;T. Daniel Crawford;John F. Stanton;Wesley D. Allen;Henry F. Schaefer

  • Coupled cluster calculations of optical rotatory dispersion of (S)-methyloxirane.

    Mary C. Tam;Nicholas J. Russ;T. Daniel Crawford

  • The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.

    Ryan C. Fortenberry;Xinchuan Huang;Joseph S. Francisco;T. Daniel Crawford

  • Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+

    Ryan C. Fortenberry;Xinchuan Huang;Joseph S. Francisco;T. Daniel Crawford

  • Locally correlated equation-of-motion coupled cluster theory for the excited states of large molecules

    T.Daniel Crawford;Rollin A King

  • Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules.

    T. Daniel Crawford;Philip J. Stephens

  • Conformations of [10]Annulene: More Bad News for Density Functional Theory and Second-Order Perturbation Theory

    Rollin A. King;T. Daniel Crawford;John F. Stanton;Henry F. Schaefer

  • HIGH-ACCURACY QUARTIC FORCE FIELD CALCULATIONS FOR THE SPECTROSCOPIC CONSTANTS AND VIBRATIONAL FREQUENCIES OF 11 A′ l-C3H–: A POSSIBLE LINK TO LINES OBSERVED IN THE HORSEHEAD NEBULA PHOTODISSOCIATION REGION

    Ryan C. Fortenberry;Xinchuan Huang;T. Daniel Crawford;Timothy J. Lee

Frequent Co-Authors

Henry F. Schaefer
Henry F. Schaefer University of Georgia
Timothy J. Lee
Timothy J. Lee Ames Research Center
C. David Sherrill
C. David Sherrill Georgia Institute of Technology
John F. Stanton
John F. Stanton University of Florida
Gregory V. Hartland
Gregory V. Hartland University of Notre Dame
Martin T. Zanni
Martin T. Zanni University of Wisconsin–Madison
Wesley D. Allen
Wesley D. Allen University of Georgia
David G. I. Kingston
David G. I. Kingston Virginia Tech
Michael C. McCarthy
Michael C. McCarthy Harvard University
Joel M. Bowman
Joel M. Bowman Emory University

External Links

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Best Scientists Citing T. Daniel Crawford

Henry F. Schaefer

Henry F. Schaefer

University of Georgia

Publications: 153

C. David Sherrill

C. David Sherrill

Georgia Institute of Technology

Publications: 95

Martin Head-Gordon

Martin Head-Gordon

University of California, Berkeley

Publications: 65

Anna I. Krylov

Anna I. Krylov

University of Southern California

Publications: 61

Jürgen Gauss

Jürgen Gauss

Johannes Gutenberg University of Mainz

Publications: 40

Timothy J. Lee

Timothy J. Lee

Ames Research Center

Publications: 39

Kirk A. Peterson

Kirk A. Peterson

Washington State University

Publications: 37

Piotr Piecuch

Piotr Piecuch

Michigan State University

Publications: 37

Hans-Joachim Werner

Hans-Joachim Werner

University of Stuttgart

Publications: 36

Todd J. Martínez

Todd J. Martínez

Stanford University

Publications: 36

Gennaro Pescitelli

Gennaro Pescitelli

University of Pisa

Publications: 35

John F. Stanton

John F. Stanton

University of Florida

Publications: 34

Wesley D. Allen

Wesley D. Allen

University of Georgia

Publications: 30

Frank Neese

Frank Neese

Max Planck Society

Publications: 30

Yukio Yamaguchi

Yukio Yamaguchi

University of Georgia

Publications: 30

Jochen Autschbach

Jochen Autschbach

University at Buffalo, State University of New York

Publications: 30

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