iChem Therefore iAm. Founding Director, Institute for Strategic AI (ISA) | Visiting Researcher @MSFTResearch | Professor of Computational & Materials Chemistry

NSW, Australia
Joined October 2014
Google Scholar is too noisy & lifetime citations bury active momentum. 📉 We built the ISA Academic Profile Engine. 🚀 ✓ Citation Velocity ✓ Impact Filters ✓ Trending Papers Fast, clean & 100% free. Track your momentum here 👇 theisa.ai/academic-profile.h… #AI #ResearchImpact
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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
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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
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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
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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
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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
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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
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Need to quickly view XYZ coordinates without opening heavy software? Here's a simple online tool: just paste your xyz coordinates and see the 3D molecule A perfect resource for students, educators, and chemists 👉 labinitio.org/xyzview/ #CompChem #ChemEd #AcademicTwitter
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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
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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…
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It snowed in Guyra too :-). My kids had the best day ever!
Nice dusting of snow out here near Orange.
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Replying to @PicturesFoIder
And of course the unforgettable role of Dark Helmet in Spaceballs.
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Collaborations between theory and cutting-edge experiments are unlocking new insights into supramolecular #catalysis! Check out doi.org/10.1039/D3SC05341E and doi.org/10.1002/anie.2023013…. #SupramolecularChemistry #CompChem #DFT #Collaboration #Innovation
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Me: This is Glycyl-L-alanine. My 6 y/o son: Why does it look like a doggy?
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Thank you @schmidtim for including a few slides on my favorite diatomic ever – the multireference beast singlet C2(1∑+g)! #compchem
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Phenomenal plenary talk by @schmidtim at #AISAMP-15 on magnetic fields and singlet fission. See recent Nature Chemistry paper nature.com/articles/s41557-0…. #materials #spectroscopy #ozchem #unsw
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