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Accepting PhD/HDR Students

PhD/HDR projects

Autonomous Scientific Discovery using Agentic AI Workflows; Generative AI for the Design of Advanced Energy Materials; Machine Learning for Nanomaterial Discovery; Chemical Databases for Deep Learning DFT Models; Atmospheric Water Generation (AirSponge) and Catalysis; High-Level Quantum Chemistry

20042026

Research activity per year

Personal profile

Biographical Details

Professor Amir Karton is the Founding Director of the Institute for Strategic AI (ISA) at the University of New England (UNE), a Professor of Physical and Materials Chemistry and the Associate Dean of Research at UNE, a Visiting Researcher at Microsoft Research (AI4Science), and an Adjunct Professor of Materials Chemistry at The University of Western Australia.

At UNE, Professor Karton leads an AI-native research institute dedicated to applying artificial intelligence to large-scale challenges across the physical sciences, advanced manufacturing, and the circular economy. By integrating generative, predictive, and agentic AI, his team builds autonomous workflows that overcome traditional research bottlenecks and dramatically accelerate both academic discovery and industrial innovation. As a flagship application of AI in materials chemistry, ISA connects these agentic workflows directly to an ARC-funded robotic synthesis platform, establishing a precision-guided, closed-loop system for the autonomous discovery of novel nanomaterials, scalable e-waste recycling technologies, and sustainable energy solutions (aligning with UN SDGs 6, 7, 9, and 13).

Professor Karton’s foundational contributions to chemistry have been recognized by prestigious ARC Fellowships (APD, DECRA, Future Fellowship), the Le Fèvre Medal from the Australian Academy of Science, the American Chemical Society (ACS) PHYS Division Lectureship Award, the Royal Australian Chemical Institute (RACI) Physical Chemistry Lectureship and Citation Award, and the UNE Research Collaboration Leadership Award.

Professor Karton serves as an editor for Chemical Physics Letters and the Australian Journal of Chemistry. As former Chair of UNE's Research Committee of the Academic Board and former Chair of the RACI Inclusion and Diversity Committee (RIDC), he also plays a central role in shaping institutional research governance and actively advances equity in the sciences. 

Professional Information

Research Leadership & Funding 
Professor Karton’s research program operates at the critical intersection of applied artificial intelligence and the physical sciences. His contributions to autonomous scientific discovery and quantum chemical theory have been continuously supported by the Australian Research Council (ARC). He has secured highly competitive national fellowships, progressing from an ARC Australian Postdoctoral Fellowship (APD) to a Discovery Early Career Researcher Award (DECRA), and an ARC Future Fellowship. Driving major national infrastructure initiatives, he serves as the computational lead for a $2.7M ARC LIEF grant (2025) to establish the self-driving automated molecular synthesis and formulation platform.

Scientific Recognition 
The impact of Professor Karton's computational and physical chemistry research is globally recognized. He is the recipient of the Le Fèvre Medal from the Australian Academy of Science (2018), the RACI Physical Chemistry Division Lectureship (2019), and the prestigious American Chemical Society (ACS) Journal of Physical Chemistry – PHYS Division Lectureship Award (2020).

Editorial Roles & Engagement 
Professor Karton shapes global discourse in computational and physical chemistry through senior editorial roles. He serves as an Editor for Chemical Physics Letters, overseeing rapid publication of high-impact research, and as an Associate Editor for the Australian Journal of Chemistry. Deeply committed to equity in the sciences, he served as Chair of the RACI Inclusion and Diversity Committee (RIDC). He actively guides national computing strategy and molecular modelling initiatives, currently serving as Vice President of the Association of Molecular Modellers of Australasia (AMMA) and as a Scientific Board Member of the Australian Association of Theoretical and Computational Chemists (AATACC). Within the University of New England, he formerly served as Chair of the Research Committee of the Academic Board, driving institutional research policy, productivity frameworks, and strategic governance.

Teaching

AI in Chemistry, Computational chemistry, Applications of virtual reality (VR) technology in chemistry education, Physical chemistry.

Education/Academic qualification

Doctorate, Theoretical and Computational Chemistry , Weizmann Institute of Science

External positions

Microsoft Research, Microsoft Research (AI4Science)

30 Jan 2025 → …

Adjunct Professor, The University of Western Australia

2012 → …

Research Interests

  • Artificial Intelligence
  • Generative AI
  • Agentic Workflows
  • Autonomous Discovery
  • Computational Chemistry
  • Quantum Chemistry
  • Materials Science
  • Renewable Energy
  • rcular Economy
  • Chemical Databases

Approved to Supervise

  • Approved PhD/HDR supervisor

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  1. SDG 6 - Clean Water and Sanitation
    SDG 6 Clean Water and Sanitation
  2. SDG 7 - Affordable and Clean Energy
    SDG 7 Affordable and Clean Energy
  3. SDG 8 - Decent Work and Economic Growth
    SDG 8 Decent Work and Economic Growth
  4. SDG 9 - Industry, Innovation, and Infrastructure
    SDG 9 Industry, Innovation, and Infrastructure
  5. SDG 12 - Responsible Consumption and Production
    SDG 12 Responsible Consumption and Production
  6. SDG 13 - Climate Action
    SDG 13 Climate Action

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