About Us

We are a computational chemistry research group based in the School of Chemistry at the University of 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)
• Lily Bates (PhD student)
• Rob Kennedy (MChem project student)

Latest 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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