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Sotiris S. Xantheas

D-Index & Metrics

Discipline name D-Index World Ranking Current World Ranking National Ranking Current National Ranking Publications Citations
Chemistry 72 5297 4811 1653 1379 251 17357

Sotiris S. Xantheas publications per year

The chart shows the history of publications by Sotiris S. Xantheas between 1987 and 2025, highlighting the no. of papers published in each year and offering an overview of the publication velocity of this scholar. Sotiris S. Xantheas published across 39 years, from 1987 to 2025, averaging 7 papers a year. Output peaked at 14 publications in 2021. 26 of the 274 publications appeared in the last two years.

No. of publications
5 10
Bar chart. Horizontal axis: year, 1987 to 2025. Vertical axis: number of publications, 0 to 14. Peak 14 publications in 2021. 1987: 1 publication 1988: 0 publications 1989: 0 publications 1990: 2 publications 1991: 5 publications 1992: 2 publications 1993: 4 publications 1994: 4 publications 1995: 3 publications 1996: 4 publications 1997: 5 publications 1998: 9 publications 1999: 7 publications 2000: 6 publications 2001: 5 publications 2002: 10 publications 2003: 1 publication 2004: 5 publications 2005: 6 publications 2006: 9 publications 2007: 5 publications 2008: 4 publications 2009: 13 publications 2010: 12 publications 2011: 10 publications 2012: 10 publications 2013: 8 publications 2014: 12 publications 2015: 11 publications 2016: 11 publications 2017: 5 publications 2018: 5 publications 2019: 9 publications 2020: 6 publications 2021: 14 publications 2022: 12 publications 2023: 13 publications 2024: 12 publications 2025: 14 publications
1987 2025

274 publications in total across all disciplines

View publications per year as a table
Sotiris S. Xantheas: publications per year, 1987 to 2025
Year Publications
1987 1
1988 0
1989 0
1990 2
1991 5
1992 2
1993 4
1994 4
1995 3
1996 4
1997 5
1998 9
1999 7
2000 6
2001 5
2002 10
2003 1
2004 5
2005 6
2006 9
2007 5
2008 4
2009 13
2010 12
2011 10
2012 10
2013 8
2014 12
2015 11
2016 11
2017 5
2018 5
2019 9
2020 6
2021 14
2022 12
2023 13
2024 12
2025 14
Total 274
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Sotiris S. Xantheas 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 Sotiris S. Xantheas 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, 241–260 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: 251 publications — 50th percentile

50% 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 1,100 251
261–280 979
281–300 939
301–320 764
321–340 643
341–360 628
361–380 522
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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Sotiris S. Xantheas 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 Sotiris S. Xantheas 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, 72–73 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: 72 D-Index — 71st percentile

71% 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 72
74–75 501
76–77 437
78–79 388
80–81 354
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
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Research.com Recognitions

  • 2009 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2005 - Fellow of American Physical Society (APS) Citation For fundamental contributions to the understanding of molecular interactions in aqueous systems

Overview

Sotiris S. Xantheas is affiliated with the Pacific Northwest National Laboratory in the United States. Their research primarily spans the fields of Physics and Astronomy and Chemistry, with significant contributions in subfields such as Atomic and Molecular Physics and Optics, Materials Chemistry, Molecular Biology, Inorganic Chemistry, and Physical and Theoretical Chemistry.

Their scientific work covers a diverse range of topics, including:

  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Quantum, superfluid, helium dynamics
  • Inorganic Fluorides and Related Compounds
  • Nicotinic Acetylcholine Receptors Study
  • Computational Drug Discovery Methods

Xantheas has contributed to multiple peer-reviewed papers published in well-known scientific journals. Some recent publications include:

  • Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21, 2021, Nature Communications
  • The Many-Body Expansion for Aqueous Systems Revisited: I. Water-Water Interactions, 2020, Journal of Chemical Theory and Computation
  • The Many-Body Expansion for Aqueous Systems Revisited: II. Alkali Metal and Halide Ion-Water Interactions, 2021, Journal of Chemical Theory and Computation
  • A Perspective on Sustainable Computational Chemistry Software Development and Integration, 2023, Journal of Chemical Theory and Computation
  • The many-body expansion for aqueous systems revisited: III. Hofmeister ion-water interactions, 2021, Physical Chemistry Chemical Physics

Frequent publication venues for Xantheas include:

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

The scientist collaborates regularly with a group of frequent co-authors. The most common collaborators are:

  • Joseph P. Heindel
  • Garrett D. Santis
  • Kristina M. Herman
  • Demeter Tzeli
  • Sutanay Choudhury

Over the course of their career, Xantheas has received recognition through awards such as:

  • Fellow of the American Association for the Advancement of Science (AAAS), 2009
  • Fellow of American Physical Society (APS), 2005, for contributions to understanding molecular interactions in aqueous systems

Best Publications

  • Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

    Sotiris S. Xantheas;Thom H. Dunning

  • Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many‐body interactions

    Sotiris S. Xantheas

  • On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy

    Sotiris S. Xantheas

  • Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.

    Bruce C Garrett;David A Dixon;Donald M Camaioni;Daniel M Chipman

  • Cooperativity and Hydrogen Bonding Network in Water Clusters

    Sotiris S Xantheas

  • Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles

    Sotiris S. Xantheas;Christian J. Burnham;Robert J. Harrison

  • AB INITIO STUDIES OF CYCLIC WATER CLUSTERS (H2O)N, N=1-6. III: COMPARISON OF DENSITY FUNCTIONAL WITH MP2 RESULTS

    Sotiris S. Xantheas

  • Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water.

    George S. Fanourgakis;Sotiris S. Xantheas

  • The structure of the water trimer from ab initio calculations

    Sotiris S. Xantheas;Thom H. Dunning

  • Quantitative Description of Hydrogen Bonding in Chloride−Water Clusters

    Sotiris S. Xantheas

  • Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface

    C. J. Burnham;S. S. Xantheas

  • Contribution of Many-Body Terms to the Energy for Small Water Clusters: A Comparison of ab Initio Calculations and Accurate Model Potentials

    Matthew P. Hodges;Anthony J. Stone;Sotiris S. Xantheas

  • The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih

    Christian J. Burnham;Jichen Li;Sotiris S. Xantheas;Maurice Leslie

  • The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisited.

    Georgios S. Fanourgakis;Sotiris S. Xantheas

  • High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials

    Georgios S. Fanourgakis;Edoardo Apra;Sotiris S. Xantheas

  • Microscopic hydration of the fluoride anion

    Orlando M. Cabarcos;Corey J. Weinheimer;James M. Lisy;Sotiris S. Xantheas

  • Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2–R) from first principles

    Christian J. Burnham;Sotiris S. Xantheas

  • Molecular multipole moments of water molecules in ice Ih

    Enrique R. Batista;Sotiris S. Xantheas;Hannes Jónsson

  • On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals.

    Soohaeng Yoo;Xiao Cheng Zeng;Sotiris S. Xantheas

  • Theoretical Study of Hydroxide Ion-Water Clusters

    Sotiris S. Xantheas

Frequent Co-Authors

Edoardo Aprà
Edoardo Aprà Environmental Molecular Sciences Laboratory
Klaus Ruedenberg
Klaus Ruedenberg Iowa State University
Xue-Bin Wang
Xue-Bin Wang Pacific Northwest National Laboratory
Mark A. Johnson
Mark A. Johnson Yale University
Thom H. Dunning
Thom H. Dunning University of Washington
Kenneth D. Jordan
Kenneth D. Jordan University of Pittsburgh
Anne B. McCoy
Anne B. McCoy University of Washington
Gregory K. Schenter
Gregory K. Schenter Pacific Northwest National Laboratory
Kirk A. Peterson
Kirk A. Peterson Washington State University
Xiao Cheng Zeng
Xiao Cheng Zeng City University of Hong Kong

External Links

Wikipedia of Sotiris S. Xantheas Personal website of Sotiris S. Xantheas Google Scholar page

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R. Benny Gerber

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Joel M. Bowman

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Kwang S. Kim

Kwang S. Kim

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Publications: 41

Martin Head-Gordon

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Publications: 37

David A. Dixon

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Publications: 36

Mark S. Gordon

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Publications: 35

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Xiao He

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Kirk A. Peterson

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David Feller

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