Accessibility statement

Dr Alan Lewis



I studied for my MChem and D.Phil at the University of Oxford, graduating in 2017. I then spent two years working at the University of Chicago, followed by three years at the Max Planck Institute for the Structure and Dynamics of Matter in Hamburg. I joined the University of York as a Lecturer in 2023, and teach both undergraduate chemistry, focussing primarily on Physical Chemistry, and the interdisciplinary Data Science MSc.

Research interests

I am interested in using machine learning to accelerate, interpret, and improve electronic structure simulations. My research ranges from predicting fundamental quantities, such as the electron density, to interpreting experimental data, such as photoelectron spectra. I also develop computational chemistry software, including the SALTED machine learning package and FHI-aims electronic structure code.


Selected publications

Learning Electron Densities in the Condensed Phase 
AM Lewis, A Grisafi, M Ceriotti, M Rossi, J. Chem. Theory Comput. 17 (11), 7203-7214

Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities 
AM Lewis, TC Berkelbach, Phys Rev. Lett. 122 (22), 226402

Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules 
AM Lewis, TC Berkelbach, J. Chem. Theory Comput. 15 (5), 2925-2932

On the low magnetic field effect in radical pair reactions 
AM Lewis, TP Fay, DE Manolopoulos, C Kerpal, S Richert, CR Timmel, J. Chem. Phys. 149 (3)

Asymmetric recombination and electron spin relaxation in the semiclassical theory of radical pair reactions 
AM Lewis, DE Manolopoulos, PJ Hore, J. Chem. Phys. 141 (4)

Full publications list

A full list of my publications can be found on Google Scholar

Contact details

Dr Alan Lewis
Lecturer in Digital Chemistry
Department of Chemistry
University of York
YO10 5DD