Amir Karton

University of New England — Australia

Physics and Astronomy · Physical Sciences

57h-index11.0kcitations307works3.12yr avg
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Research Topics

Advanced Chemical Physics Studies(100), Crystallization and Solubility Studies(35), X-ray Diffraction in Crystallography(35), Machine Learning in Materials Science(34), Graphene research and applications(32)

Publications307 total

Double-Hybrid, but not Double-Cost: GPU Accelerated DHDFT for the COMPAS-3 Dataset of Polybenzenoid Hydrocarbons
2026Open Access
Modeling Graphene Deformations Induced by Bucky‐Ball and Bucky‐Bowl Interactions
ChemPhysChem·2026Open Access
Benchmarking Isomerization Energies for C5$$ {\mathrm{C}}_5 $$–C7$$ {\mathrm{C}}_7 $$ Hydrocarbons: The ISOC7 Database
Journal of Computational Chemistry·2026
Reply to the “Comment on ‘Intramolecular Proton-Coupled Hydride Transfers with Relatively Low Activation Barriers’”
The Journal of Physical Chemistry A·2025
Sustainable hydrogen production via methane decomposition using Fe Ni bimetallic catalysts
Chemical Engineering Journal·2025· 3 citedOpen Access
Big‐Data Analysis of Geometric Descriptors as Efficient Predictors of Energetic Stability in Nonplanar Polycyclic Aromatic Hydrocarbons
Journal of Computational Chemistry·2025· 1 citedOpen Access
Tropylium-Catalyzed Domino Reactions for the Thioetherification of Levoglucosenone
Synthesis·2025
Synergetic hydrogen-bond network of functionalized graphene and cations for enhanced atmospheric water capture
Proceedings of the National Academy of Sciences·2025· 3 citedOpen Access
Organic solvent transport through reduced graphene oxide membranes with controlled oxygen content
Carbon·2025· 8 citedOpen Access
Accurate and scalable exchange-correlation with deep learning
arXiv (Cornell University)·2025· 3 citedOpen Access
Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
ArXiv.org·2025· 1 citedOpen Access
Basis Set Convergence and Empirical Approaches for Obtaining Accurate Diagonal Born–Oppenheimer Corrections from an Extensive Database of 200 Structurally Diverse Hydrocarbons
The Journal of Physical Chemistry A·2025· 1 cited
How perfluorination alters PAH stability: Benchmarking DFT with CCSD(T) isomerization energies of perfluorinated PAHs
Chemical Physics·2025· 1 cited
Three decades of quantum science: how quantum chemistry transformed thermochemical database generation for benchmarking DFT and machine learning
Australian Journal of Chemistry·2025· 3 citedOpen Access
A highly diverse and accurate database of 3366 total atomization energies calculated at the CCSD(T)/CBS level by means of W1-F12 theory
Chemical Physics Letters·2025· 2 cited
Influence of Ni on carbon nanotube production with Fe-based catalysts
Chemical Communications·2025· 1 cited
Good Practices in Database Generation for Benchmarking Density Functional Theory
Wiley Interdisciplinary Reviews Computational Molecular Science·2025· 22 citedOpen Access
Nondynamical correlation effects in multidimensional potential energy curves of prototypical hydrocarbons
Chemical Physics·2024
Post‐CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods
ChemPhysChem·2024· 1 citedOpen Access
Experimental and Computational Studies of Steric Factors in the Isomerization of Internal Alkynes within the Coordination Environment of Half‐Sandwich Metal Complexes
Chemistry - A European Journal·2024· 2 citedOpen Access
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Frequent Co-authors

Jan M. L. Martin(24), Tanveer Hussain(7), Rajeev Ahuja(5), Li‐Juan Yu(4), Robert J. O’Reilly(4), Leo Radom(4), Tanveer Hussain(4), Hyeonhu Bae(3), Hoonkyung Lee(3), Deobrat Singh(3), Dylan Jayatilaka(3), Alex Tarnopolsky(2), Branko Ruščić(2), Jingchong Liu(2), Nü Wang(2), Lanlan Hou(2), Qunfeng Cheng(2), Lei Jiang(2), Yong Zhao(2), Nitai Sylvetsky(2)