• The University of Western Australia (M310), 35 Stirling Highway,

    6009 Perth


  • 4810 Citations
  • 38 h-Index

Research output per year

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Personal profile


Associate Professor Amir Karton leads the theoretical and computational chemistry group at the School of Molecular Sciences, TheUniversity of Western Australia. He currently holds an Australian Research Council Future Fellowship. His research interests are focused on the development of quantum chemical theory for the calculation of highly accurate chemical properties and the application of these procedures to problems of chemical structure, mechanism, and design in a range of chemical disciplines, ranging from biochemistry to nano-chemistry. These include the computational design of graphene-based functional materials, elucidating the mechanisms by which enzymes catalyze molecular transformations, and simulations of atmospherically relevant chemical reactions. Amir received several prestigious awards including the American Chemical Society (ACS) Journal of Physical Chemistry – PHYS Division Lectureship Award (2020), the RACI Physical Chemistry Division Lectureship (2019), The Le Fèvre Medal from the Australian Academy of Science (2018), and the Vice-Chancellor’s Early Career Investigators Award (2016). Amir serves as the current Chair of the RACI Inclusion and Diversity Committee (RIDC) and shares his expertise as Editor of Chemical Physics Letters and Associate Editor of the Australian Journal of Chemistry. For more information go to Amir's website: https://www.chemtheorist.com.


Theoretical chemistry, Computational chemistry, Quantum chemistry, Density Functional Theory, Catalysis, Molecular design

Research expertise keywords

  • Theoretical chemistry
  • Computational and theoretical chemistry
  • Quantum chemistry
  • Molecular design
  • Free radical chemistry
  • Organic catalysis
  • Enzymatic catalysis
  • Organometallic catalysis

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Research Output

  • 4810 Citations
  • 38 h-Index
  • 147 Article
  • 1 Editorial

Benchmark study of DFT and composite methods for bond dissociation energies in argon compounds

Yu, L. J., Dale, S. G., Chan, B. & Karton, A., 1 Mar 2020, In : Chemical Physics. 531, 110676.

Research output: Contribution to journalArticle

  • 1 Citation (Scopus)

    Chemically induced repair, adhesion, and recycling of polymers made by inverse vulcanization

    Tonkin, S. J., Gibson, C. T., Campbell, J. A., Lewis, D. A., Karton, A., Hasell, T. & Chalker, J. M., 7 Jun 2020, In : Chemical Science. 11, 21, p. 5537-5546 10 p.

    Research output: Contribution to journalArticle

    Open Access
  • Criegee intermediate decomposition pathways for the formation of o-toluic acid and 2-methylphenylformate

    Lakmuang, C., Kroeger, A. A. & Karton, A., Jun 2020, In : Chemical Physics Letters. 748, 137399.

    Research output: Contribution to journalArticle

  • Open Access
  • Functionalized Two-Dimensional Nanoporous Graphene as Efficient Global Anode Materials for Li-, Na-, K-, Mg-, and Ca-Ion Batteries

    Hussain, T., Olsson, E., Alhameedi, K., Cai, Q. & Karton, A., 7 May 2020, In : Journal of Physical Chemistry C. 124, 18, p. 9734-9745 12 p.

    Research output: Contribution to journalArticle

  • Projects