World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
58
Citations
13307
World Ranking
10537
National Ranking
383

Mario Barbatti 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 Mario Barbatti 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: 219 publications — 39th percentile

39% of scientists in this discipline score the same or lower.

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

Mario Barbatti 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 Mario Barbatti 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: 58 D-Index — 42nd percentile

42% of scientists in this discipline score the same or lower.

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

Overview

Mario Barbatti is affiliated with Aix-Marseille University in France and has contributed extensively to the fields of physics and chemistry. Their research spans various subfields including atomic and molecular physics and optics, materials chemistry, physical and theoretical chemistry, molecular biology, and spectroscopy.

The primary topics of Mario Barbatti's work encompass spectroscopy and quantum chemical studies, advanced chemical physics studies, photochemistry and electron transfer studies, machine learning in materials science, protein structure and dynamics, molecular spectroscopy and chirality, and molecular junctions and nanostructures.

Frequent co-authors collaborating with Mario Barbatti include Josene M. Toldo, Pavlo O. Dral, Max Pinheiro, Saikat Mukherjee, and Mariana T. do Casal.

Mario Barbatti has published in several scientific venues, with a prominent presence in Physical Chemistry Chemical Physics, the Journal of Chemical Theory and Computation, Zenodo (CERN European Organization for Nuclear Research), The Journal of Physical Chemistry A, and The Journal of Chemical Physics.

Representative recent publications include:

  • "Molecular excited states through a machine learning lens" (2021), Nature Reviews Chemistry
  • "Choosing the right molecular machine learning potential" (2021), Chemical Science
  • "Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles" (2022), Journal of Chemical Theory and Computation
  • "Machine Learning for Absorption Cross Sections" (2020), The Journal of Physical Chemistry A
  • "The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry" (2020), The Journal of Chemical Physics

Best Publications

  • Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

    Rachel Crespo-Otero;Mario Barbatti

  • The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

    Mario Barbatti;Giovanni Granucci;Maurizio Persico;Matthias Ruckenbauer

  • Newton-X: a surface-hopping program for nonadiabatic molecular dynamics

    Mario Barbatti;Matthias Ruckenbauer;Felix Plasser;Jiri Pittner

  • Nonadiabatic dynamics with trajectory surface hopping method

    Mario Barbatti

  • Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

    Mario Cesar Barbatti;Mario Cesar Barbatti;Adelia J. A. Aquino;Jaroslaw Szymczak;Dana Nachtigallova

  • Multireference Approaches for Excited States of Molecules.

    Hans Lischka;Hans Lischka;Hans Lischka;Dana Nachtigallová;Adélia J.A. Aquino;Adélia J.A. Aquino;Adélia J.A. Aquino;Péter G. Szalay

  • Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods.

    Xing Gao;Shuming Bai;Daniele Fazzi;Thomas Niehaus

  • Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

    Rachel Crespo-Otero;Mario Cesar Barbatti

  • The UV absorption of nucleobases: semi-classical ab initio spectra simulations

    Mario Barbatti;Adelia J. A. Aquino;Adelia J. A. Aquino;Hans Lischka;Hans Lischka

  • Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer

    Felix Plasser;Giovanni Granucci;Jiri Pittner;Mario Barbatti

  • Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study.

    Felix Plasser;Rachel Crespo-Otero;Marek Pederzoli;Jiri Pittner

  • Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics

    Mario Barbatti;Hans Lischka

  • Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces.

    M. Barbatti;J. Paier;H. Lischka

  • Ultrafast internal conversion pathway and mechanism in 2-(2'-hydroxyphenyl)benzothiazole: a case study for excited-state intramolecular proton transfer systems.

    Mario Barbatti;Adélia J. A. Aquino;Hans Lischka;Christian Schriever

  • Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine

    Mario Barbatti;Zhenggang Lan;Rachel Crespo-Otero;Jaroslaw J. Szymczak

  • Effects of different initial condition samplings on photodynamics and spectrum of pyrrole

    Mario Barbatti;Kakali Sen

  • Molecular excited states through a machine learning lens

    Pavlo O. Dral;Mario Barbatti

  • Choosing the right molecular machine learning potential

    Max Pinheiro;Fuchun Ge;Nicolas Ferré;Pavlo O. Dral

  • Nonadiabatic Excited-State Dynamics with Machine Learning.

    Pavlo O. Dral;Mario Barbatti;Walter Thiel

  • Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy

    Mario Barbatti;Jiří Pittner;Marek Pederzoli;Ute Werner

  • Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings

    Jiri Pittner;Hans Lischka;Mario Barbatti

Frequent Co-Authors

Hans Lischka
Hans Lischka Texas Tech University
Adelia J. A. Aquino
Adelia J. A. Aquino Texas Tech University
Walter Thiel
Walter Thiel Max Planck Society
Felix Plasser
Felix Plasser Loughborough University
Pavel Hobza
Pavel Hobza Czech Academy of Sciences
Thomas J. Müller
Thomas J. Müller Leibniz Association
Daniele Fazzi
Daniele Fazzi University of Cologne
Jiří Pittner
Jiří Pittner Czech Academy of Sciences
Adam P. Hitchcock
Adam P. Hitchcock McMaster University
Péter G. Szalay
Péter G. Szalay Eötvös Loránd University

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