iChem Therefore iAm. Founding Director, Institute for Strategic AI (ISA) | Visiting Researcher @MSFTResearch | Professor of Computational & Materials Chemistry
NSW, Australia
Joined October 2014
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We launch the Institute for Strategic AI (ISA) at @UniNewEngland.
We link Generative AI and Agentic Workflows directly to physical robotic labs to engineer autonomous discovery loops, accelerating R&D cycle times.
theisa.ai
#AI #AutonomousSystems #Robotics
The MSR-ACC/TAE25 database of 73,000 W1-F12 CCSD(T)/CBS atomization energies is now published in Scientific Data! A tremendous collaboration with the @MSFTResearch #AI4Science Team!
doi.org/10.1038/s41597-026-0…
doi.org/10.5281/zenodo.15387…
#CompChem #DeepLearning #DFT #QuantumChemistry
I'm thrilled that the new #deeplearning #DFT Skala-1.1 functional is out! arxiv.org/abs/2506.14665
Skala-1.1 breaks the longstanding accuracy-to-cost trade-off of Jacob's Ladder.
Amazing collaboration with @paolagorigiorgi and the entire @MSFTResearch AI4Science team!
#CompChem
The largest snowfall in recorded history really made the @UniNewEngland campus look like Narnia.
More photos from the day: labinitio.org/explore/armida…
#UNE #Armidale #Snow #Australia
Yesterday's historic snowfall turned the @UniNewEngland campus into a true winter wonderland. Here are some photos from the incredible day: labinitio.org/explore/armida…
#UNE #Armidale #Snow #Australia
Thrilled to receive the 2025 Research Collaboration Leadership Award from @UniNewEngland
A huge thank you to all my incredible #CompChem and experimental collaborators — this award is for you! 🙏
Grateful to #UNE for fostering an environment of high-impact research partnerships
ALT The certificate reads “Research Collaboration Leadership – Professor Amir Karton – For exceptional dedication to advancing computational chemistry and building durable, high-impact research partnerships.” The award is from the University of New England (UNE), dated 17 July 2025.
Need to quickly view XYZ coordinates without opening heavy software?
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#CompChem #ChemEd #AcademicTwitter
The Chem. Phys. Lett. community has pushed our 2024 Impact Factor to 3.1!
Thank you to all our authors, reviewers, and readers!
Be part of our continued growth and submit your next manuscript to CPL! tinyurl.com/bp7sf7db
#ChemicalPhysics #PhysicalChemistry #ImpactFactor
A truly exciting collaboration! Thank you @Joshinano for leading this impactful groundbreaking work! #CompChem #DFT #Ozchem
@PNASNews @PNAS @UNSW @UNSWScience @NUSingapore @UniNewEngland
doi.org/10.1073/pnas.2508208…
