- EU-40 prize from the European Materials Research Society
- Chemistry Society Reviews Emerging Investigator Lectureship
- Philip Leverhulme Prize in Chemistry
- Corday-Morgan Prize from the RSC
- Elected to Academia Europaea in 2025
- Select publications:
- Machine learning for molecular and materials science: https://www.nature.com/articles/s41586-018-0337-2
- Best practices in machine learning for chemistry: https://www.nature.com/articles/s41557-021-00716-z
- Has generative artificial intelligence solved inverse materials design? https://doi.org/10.1016/j.matt.2024.05.017
Research Experience
- Worked for the US Department of Energy at the National Renewable Energy Laboratory
- Marie Curie Fellowship hosted by University College London
- Royal Society University Research Fellowship at the University of Bath
- Research Area Lead for Modelling & Simulation at the Henry Royce Institute
- Associate Editor for the Journal of the American Chemical Society (JACS) covering artificial intelligence
Education
PhD in Chemistry from Trinity College Dublin
Background
A Full Professor and Fellow of the Royal Society of Chemistry (FRSC) in the Department of Materials. Leads the Materials Design Group within the Thomas Young Centre. Research involves cutting-edge materials theory and machine learning applied to problems across solid-state chemistry and physics, including materials for solar cells and fuels, batteries, thermoelectrics, and solid-state lighting.
Miscellany
Expertise in semiconductor and dielectric theory, and developing innovative approaches for materials data, informatics, and design.