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

    6009 Perth


  • 3921 Citations
  • 33 h-Index
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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

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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

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Research Output 2004 2019

  • 3921 Citations
  • 33 h-Index
  • 121 Article
  • 1 Editorial
  • 1 Doctoral Thesis

A Computational Foray into the Mechanism and Catalysis of the Adduct Formation Reaction of Guanine with Crotonaldehyde

Kroeger, A. A. & Karton, A., 5 Feb 2019, In : Journal of Computational Chemistry. 40, 4, p. 630-637 8 p.

Research output: Contribution to journalArticle

Blue phosphorene monolayers as potential nano sensors for volatile organic compounds under point defects

Sun, S., Hussain, T., Zhang, W. & Karton, A., 30 Aug 2019, In : Applied Surface Science. 486, p. 52-57 6 p.

Research output: Contribution to journalArticle

Volatile Organic Compounds
Point defects
Volatile organic compounds

Carnosine and Carcinine Derivatives Rapidly React with Hypochlorous Acid to Form Chloramines and Dichloramines

Carroll, L., Karton, A., Radom, L., Davies, M. J. & Pattison, D. I., Mar 2019, In : Chemical Research in Toxicology. 32, 3, p. 513-525 13 p.

Research output: Contribution to journalArticle

Density functional theory

Efficient and selective sensing of nitrogen-containing gases by Si 2 BN nanosheets under pristine and pre-oxidized conditions

Hussain, T., Singh, D., Gupta, S. K., Karton, A., Sonvane, Y. & Ahuja, R., 1 Mar 2019, In : Applied Surface Science. 469, p. 775-780 6 p.

Research output: Contribution to journalArticle


Projects 2012 2021