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Paul W. Ayers

Paul W. Ayers

McMaster University
Canada

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Chemistry
Canada
2025

D-Index & Metrics

Discipline name D-Index World Ranking Current World Ranking National Ranking Current National Ranking Publications Citations
Chemistry 80 3428 3102 81 72 369 22250

Paul W. Ayers publications per year

The chart shows the history of publications by Paul W. Ayers between 1995 and 2025, highlighting the no. of papers published in each year and offering an overview of the publication velocity of this scholar. Paul W. Ayers published across 31 years, from 1995 to 2025, averaging 15.6 papers a year. Output peaked at 43 publications in 2024. 73 of the 484 publications appeared in the last two years.

No. of publications
10 20 30 40
Bar chart. Horizontal axis: year, 1995 to 2025. Vertical axis: number of publications, 0 to 43. Peak 43 publications in 2024. 1995: 1 publication 1996: 0 publications 1997: 0 publications 1998: 1 publication 1999: 1 publication 2000: 6 publications 2001: 3 publications 2002: 4 publications 2003: 5 publications 2004: 5 publications 2005: 15 publications 2006: 24 publications 2007: 27 publications 2008: 11 publications 2009: 33 publications 2010: 17 publications 2011: 33 publications 2012: 26 publications 2013: 20 publications 2014: 26 publications 2015: 16 publications 2016: 20 publications 2017: 29 publications 2018: 30 publications 2019: 7 publications 2020: 9 publications 2021: 10 publications 2022: 16 publications 2023: 16 publications 2024: 43 publications 2025: 30 publications
1995 2025

484 publications in total across all disciplines

View publications per year as a table
Paul W. Ayers: publications per year, 1995 to 2025
Year Publications
1995 1
1996 0
1997 0
1998 1
1999 1
2000 6
2001 3
2002 4
2003 5
2004 5
2005 15
2006 24
2007 27
2008 11
2009 33
2010 17
2011 33
2012 26
2013 20
2014 26
2015 16
2016 20
2017 29
2018 30
2019 7
2020 9
2021 10
2022 16
2023 16
2024 43
2025 30
Total 484
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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.

No. of scientists
250 500 750 1,000 1,250
Bar chart with 63 bars. Horizontal axis: publications, 61–80 to 1,295+. Vertical axis: number of scientists, 0 to 1,350. Most scientists, 1,350, have 161–180 publications. The last bar groups every scientist with 1,295 publications or more. The highlighted bar, 361–380 publications, is where this scientist sits. 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
61–80 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.

View publications distribution as a table
Number of Chemistry scientists by publication count, Research.com 2026 ranking edition. Based on 17,934 ranked scientists.
Publications Scientists This scientist
61–80 66
81–100 302
101–120 623
121–140 918
141–160 1,218
161–180 1,350
181–200 1,344
201–220 1,281
221–240 1,216
241–260 1,100
261–280 979
281–300 939
301–320 764
321–340 643
341–360 628
361–380 522 369
381–400 459
401–420 397
421–440 327
441–460 270
461–480 265
481–500 252
501–520 201
521–540 185
541–560 148
561–580 148
581–600 132
601–620 114
621–640 104
641–660 91
661–680 92
681–700 73
701–720 57
721–740 54
741–760 67
761–780 45
781–800 46
801–820 39
821–840 32
841–860 36
861–880 29
881–900 26
901–920 24
921–940 14
941–960 23
961–980 28
981–1,000 15
1,001–1,020 29
1,021–1,040 12
1,041–1,060 19
1,061–1,080 12
1,081–1,100 6
1,101–1,120 8
1,121–1,140 12
1,141–1,160 5
1,161–1,180 6
1,181–1,200 14
1,201–1,220 7
1,221–1,240 2
1,241–1,260 6
1,261–1,280 4
1,281–1,294 6
1,295+ 100
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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.

No. of scientists
250 500 750 1,000
Bar chart with 61 bars. Horizontal axis: D-Index, 40–41 to 159+. Vertical axis: number of scientists, 0 to 1,051. Most scientists, 1,051, have 56–57 D-Index. The last bar groups every scientist with 159 D-Index or more. The highlighted bar, 80–81 D-Index, is where this scientist sits. 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
40–41 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.

View D-Index distribution as a table
Number of Chemistry scientists by D-index, Research.com 2026 ranking edition. Based on 17,934 ranked scientists.
D-Index Scientists This scientist
40–41 289
42–43 612
44–45 808
46–47 776
48–49 835
50–51 861
52–53 872
54–55 933
56–57 1,051
58–59 930
60–61 882
62–63 834
64–65 731
66–67 775
68–69 683
70–71 646
72–73 561
74–75 501
76–77 437
78–79 388
80–81 354 80
82–83 292
84–85 275
86–87 254
88–89 235
90–91 185
92–93 192
94–95 155
96–97 163
98–99 125
100–101 105
102–103 105
104–105 112
106–107 88
108–109 68
110–111 69
112–113 65
114–115 79
116–117 61
118–119 44
120–121 37
122–123 40
124–125 33
126–127 26
128–129 34
130–131 35
132–133 25
134–135 27
136–137 17
138–139 16
140–141 20
142–143 20
144–145 15
146–147 9
148–149 9
150–151 16
152–153 11
154–155 9
156–157 3
158 3
159+ 98
Download as CSV

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
Veronique Van Speybroeck
Veronique Van Speybroeck Ghent University

External Links

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Best Scientists Citing Paul W. Ayers

Paul Geerlings

Paul Geerlings

Vrije Universiteit Brussel

Publications: 103

Frank De Proft

Frank De Proft

Vrije Universiteit Brussel

Publications: 68

Weitao Yang

Weitao Yang

Duke University

Publications: 66

Shubin Liu

Shubin Liu

University of North Carolina at Chapel Hill

Publications: 61

Pratim K. Chattaraj

Pratim K. Chattaraj

Birla Institute of Technology, Mesra

Publications: 52

Veronique Van Speybroeck

Veronique Van Speybroeck

Ghent University

Publications: 47

Patrick Bultinck

Patrick Bultinck

Ghent University

Publications: 39

Markus Reiher

Markus Reiher

ETH Zurich

Publications: 39

Gustavo E. Scuseria

Gustavo E. Scuseria

Rice University

Publications: 36

Alejandro Toro-Labbé

Alejandro Toro-Labbé

Pontificia Universidad Católica de Chile

Publications: 35

Martin Head-Gordon

Martin Head-Gordon

University of California, Berkeley

Publications: 34

Michel Waroquier

Michel Waroquier

Ghent University

Publications: 31

Patricia Pérez

Patricia Pérez

San Sebastián University

Publications: 26

Kieron Burke

Kieron Burke

University of California, Irvine

Publications: 21

O. Anatole von Lilienfeld

O. Anatole von Lilienfeld

University of Toronto

Publications: 21

Chérif F. Matta

Chérif F. Matta

Mount Saint Vincent University

Publications: 20

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