BioSolveIT Talk 11th June 2026
John’s BioSolveIT Talk 11th June 2026
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John’s OSDS Talk: AI in Teaching and Assessment April 29 2026
John’s OSDS Talk: AI in Teaching and Assessment April 29 2026
AI in Teaching & Assessment
Recently, John was interviewed by Jenny Taylorson for a CELPIE podcast “Catalysing Change: Rethinking Chemistry Assessment,” discussing how education and assessment can adapt to the rise of AI. You can listen to the…
Biomolecular Simulation in the time of Machine Learning: Whither or Wither?
Each year, enormous computational resources are expended in millions of simulations [1,2], whether Molecular Dynamics, QM/MM/ Monte Carlo, Free Energy Perturbation, or any of the various associated methodologies, all…
Can Synthetic Data Improve ML Models in Chemistry?
Selin Yucebiyik’s Honours project investigated whether Machine Learning models in chemistry could be improved by: We found that increasing the size of the training set did significantly improve the predictive power of…
Is AI Smarter than Chemistry Students?
Robyn Scott’s final year undergraduate project examined the relative capabilities of chemistry students and AI bots in solving set problems covering all areas of chemistry. LLMs in general outperformed chemistry…