World's Best Scientists 2026 revealed!
Paul W. Ayers

Paul W. Ayers

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Chemistry
Canada
2025

D-Index & Metrics

Chemistry

D-Index
80
Citations
22250
World Ranking
3428
National Ranking
81

Paul W. Ayers 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 Paul W. Ayers 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: 369 publications — 76th percentile

76% of scientists in this discipline score the same or lower.

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

Paul W. Ayers 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 Paul W. Ayers 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: 80 D-Index — 81st percentile

81% 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

  • 2025 - Research.com Chemistry in Canada Leader Award
  • 2022 - Research.com Chemistry in Canada Leader Award
  • 2008 - Fellow of Alfred P. Sloan Foundation

Overview

Paul W. Ayers is affiliated with McMaster University in Canada. Their research spans multiple fields, predominantly within physics and chemistry, with a focus on atomic and molecular physics, optics, materials chemistry, organic chemistry, physical and theoretical chemistry, and computational theory and mathematics.

The scientist has contributed extensively to several research topics, including:

  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Computational Drug Discovery Methods
  • Machine Learning in Materials Science
  • Crystallography and Molecular Interactions
  • Free Radicals and Antioxidants
  • Molecular Spectroscopy and Chirality

Recent papers associated with Paul W. Ayers include:

  • Conceptual density functional theory: status, prospects, issues, 2020, Theoretical Chemistry Accounts
  • DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science, 2022, Physical Chemistry Chemical Physics
  • A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors, 2021, Scientific Data
  • Richardson-Gaudin mean-field for strong correlation in quantum chemistry, 2020, The Journal of Chemical Physics
  • Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles, 2022, Frontiers in Chemistry

Frequent co-authors collaborating with Paul W. Ayers are:

  • Shubin Liu
  • Farnaz Heidar-Zadeh
  • Ramón Alain Miranda-Quintana
  • Dongbo Zhao
  • Yilin Zhao

The scientist has contributed multiple publications to several notable venues including:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Theoretical Chemistry Accounts
  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry A

Among published book works, Paul W. Ayers has a book released by Springer Nature titled Electron Localization-Delocalization Matrices (2024).

Their academic recognition includes receiving the title of Fellow of the Alfred P. Sloan Foundation in 2008.

Best Publications

  • Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited

    Paul W. Ayers;Robert G. Parr

  • Critical analysis and extension of the Hirshfeld atoms in molecules

    Patrick Bultinck;Christian Van Alsenoy;Paul W. Ayers;Ramon Carbó-Dorca

  • Perturbative perspectives on the chemical reaction prediction problem

    Paul W. Ayers;James S. M. Anderson;Libero J. Bartolotti

  • What is an atom in a molecule

    Robert G. Parr;Paul W. Ayers;Roman F. Nalewajski

  • Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory

    Weitao Yang;Yingkai Zhang;Paul W. Ayers

  • Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”

    Paul W. Ayers;Mel Levy

  • The physical basis of the hard/soft acid/base principle

    Paul W. Ayers

  • Conceptual density functional theory: status, prospects, issues

    Paul Geerlings;Eduardo Chamorro;Pratim Kumar Chattaraj;Frank De Proft

  • Elucidating the hard/soft acid/base principle: a perspective based on half-reactions.

    Paul W. Ayers;Robert G. Parr;Ralph G. Pearson

  • The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons

    Paul W. Ayers

  • Understanding the Woodward-Hoffmann rules by using changes in electron density.

    Paul W. Ayers;Christophe Morell;Frank De Proft;Paul Geerlings

  • Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential

    Carlos Cárdenas;Nataly Rabi;Paul W. Ayers;Christophe Morell

  • An elementary derivation of the hard/soft-acid/base principle.

    Paul W. Ayers

  • A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

    Peter A. Limacher;Paul W. Ayers;Paul A. Johnson;Stijn De Baerdemacker

  • Variational principles for describing chemical reactions: Condensed reactivity indices

    Paul W. Ayers;Robert C. Morrison;Ram K. Roy

  • Minimal basis iterative stockholder : atoms in molecules for force-field development

    Toon Verstraelen;Steven Vandenbrande;Farnaz Heidar-Zadeh;Louis Vanduyfhuys

  • Variational principles for describing chemical reactions. Reactivity indices based on the external potential.

    Paul W. Ayers;Robert G. Parr

  • Critical thoughts on computing atom condensed Fukui functions.

    Patrick Bultinck;Stijn Fias;Christian Van Alsenoy;Paul W. Ayers

  • How ambiguous is the local kinetic energy

    James S. M. Anderson;Paul W. Ayers;Juan I. Rodriguez Hernandez

  • The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

    Paul Geerlings;Paul W. Ayers;Alejandro Toro-Labbé;Pratim K. Chattaraj

  • Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator

    James S. M. Anderson;Junia Melin;Paul W. Ayers

Frequent Co-Authors

Patrick Bultinck
Patrick Bultinck Ghent University
Michel Waroquier
Michel Waroquier Ghent University
Paul Geerlings
Paul Geerlings Vrije Universiteit Brussel
Shubin Liu
Shubin Liu University of North Carolina at Chapel Hill
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
Robert G. Parr
Robert G. Parr University of North Carolina at Chapel Hill
Alberto Vela
Alberto Vela CINVESTAV
Alejandro Toro-Labbé
Alejandro Toro-Labbé Pontificia Universidad Católica de Chile
Chérif F. Matta
Chérif F. Matta Mount Saint Vincent University

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