Amir Karton


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

    6009 Crawley


  • 3235 Citations
  • 31 h-Index

Personal profile


Associate Professor Amir Karton leads the computational chemistry group at the University of Western Australia. He currently holds a prestigious 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. Amir’s computational chemistry group is working closely with internationally leading experimental groups in order to tackle challenging chemical problems that span several disciplines, ranging from biochemistry to nano-chemistry. These include the computational design of graphene-based functional materials, elucidating the mechanisms by which enzymes catalyse molecular transformations, and simulations of atmospherically relevant chemical reactions. Amir received a number of prestigious awards including the Le Fèvre Medal from the Australian Academy of Science (2018), the Vice-Chancellor’s Early Career Investigators Award (2016), and the Outstanding Young Investigator Award from UWA (2013).


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


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

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  • 2 Similar Profiles
Thermochemistry Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Atomization Chemical Compounds
thermochemistry Physics & Astronomy
atomizing Physics & Astronomy
functionals Physics & Astronomy
Density functional theory Chemical Compounds
Molecules Chemical Compounds

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Research Output 2004 2018

  • 3235 Citations
  • 31 h-Index
  • 91 Article
  • 1 Doctoral Thesis
2 Citations

Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen storage performances

Salehabadi, A., Sarrami Foroushani, F., Salavati-Niasari, M., Gholami, T., Spagnoli, D. & Karton, A. 5 May 2018 In : Journal of Alloys & Compounds. 744, p. 574-582 8 p.

Research output: Contribution to journalArticle

Combustion synthesis
Hydrogen storage
Structural analysis
mass spectra
electron impact
2 Citations

The High Performance of Choline Arginate for Biomass Pretreatment Is Due to Remarkably Strong Hydrogen Bonding by the Anion

Karton, A., Brunner, M., Howard, M. J., Warr, G. G. & Atkin, R. 5 Mar 2018 In : ACS Sustainable Chemistry and Engineering. 6, 3, p. 4115-4121 7 p.

Research output: Contribution to journalArticle

Hydrogen bonds
1 Citations

An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase

Golden, E., Yu, L. J., Meilleur, F., Blakeley, M. P., Duff, A. P., Karton, A. & Vrielink, A. 18 Jan 2017 In : Scientific Reports. 7, p. 12 12 p., 40517

Research output: Contribution to journalArticle

Open Access
Cholesterol Oxidase