About Us

We are a computational chemistry research group based in the School of Chemistry in St Andrews.

Research

Our research covers everything that is broadly both chemical and computational, but the main areas are:

• Machine Learning
• Molecular Simulation
• Quantum Chemistry
• Bioinformatics

Publications

The list is maintained by the St Andrews research portal.

People

• John Mitchell (Principal Investigator)
• Ben Connaughton (PhD student, joint with Michael Bühl)
• Alexandra Armitage (MSc research student)
• Robyn Scott (UG project student)
• Selin Yucebiyik (UG project student)
• Kian Sturrock (summer project student)

Posts

• Biomolecular Simulation in the time of Machine Learning: Whither or Wither?
• Can Synthetic Data Improve ML Models in Chemistry?
• Is AI Smarter than Chemistry Students?

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