Alan Lewis

Alan Lewis is Lecturer in Digital Chemistry at the University of York, specializing in machine learning methods for electronic structure simulations. He develops computational tools to accelerate and interpret quantum mechanical calculations, including the SALTED ML package and contributions to FHI-aims.

Research Focus: ML prediction of electron densities and response properties; interpretable models for spectroscopy; software development for condensed-phase systems. Combines quantum dynamics with data science to study excitonic materials and radical pair reactions.

Education & Career: MChem and D.Phil from University of Oxford (2017). Postdoctoral work at University of Chicago and Max Planck Institute for the Structure and Dynamics of Matter (Hamburg). Joined York in 2023.

Teaching: Leads modules in Physical Chemistry and Data Science, emphasizing computational methods across chemistry curricula.