معرفی
Professor Amir Karton serves as Professor in Physical/Materials Chemistry at the University of New England's School of Science and Technology within the Faculty of Science, Ag, Business and Law. He leads the quantum chemistry research group (Web: www.chemtheorist.com; Twitter: @CompQuantumChem), conducting interdisciplinary work spanning materials science, biology, physics, and chemistry with a focus on developing high-accuracy computational methods for chemical property prediction.
His research centers on quantum chemical theory development applied to nanochemistry and biochemistry, including computational design of 2D functional materials for energy storage/molecular separation, bioactive molecule design, and atmospheric/astrochemical reaction simulations. The group employs machine-learning force fields, density functional theory, and ab initio quantum chemical methods, with current emphasis on nanotechnology solutions for energy conversion aligned with UN Sustainable Development Goal 7 (Affordable and Clean Energy).
Recent publications reveal dominant trends in benchmarking computational methods against coupled cluster standards, thermochemical database development, and applications to graphene-based materials. His work increasingly integrates machine learning with quantum chemistry to enhance predictive accuracy across chemical space.
Scientific recognition includes:
- Royal Australian Chemical Institute (RACI) Citation Award (2021)
- American Chemical Society (ACS) PHYS Division Lectureship Award (2020)
- RACI Physical Chemistry Lectureship (2019)
- Le Fèvre Medal from the Australian Academy of Science (2018)
Prof. Karton directs an active research program securing substantial funding for computational quantum chemistry projects, particularly in sustainable energy applications. His group mentors graduate students in advanced method development while maintaining strong industry and international collaborations through high-performance computing infrastructure.
The quantum chemistry group operates as a dynamic computational hub with dedicated high-performance resources, maintaining active outreach through www.chemtheorist.com and social media (@CompQuantumChem) to disseminate methodologies and foster community engagement in computational chemistry.
