Walsh Materials Design Group

Electronic Structure in the Solid State

The research group of Professor Aron Walsh, Royal Society University Research Fellow and Chair of Materials Theory, in the Centre for Sustainable Chemical Technologies and the Department of Chemistry at the University of Bath.

We use atomistic simulations to solve physical problems and understand chemical processes at the nanoscale.

Our research in computational materials science covers the physical and chemical properties of oxides, halides, and other functional materials, including chalcogenide alloys and hybrid organic-inorganic frameworks. Key applications involve energy conversion, storage and transport, including thermoelectric and photovoltaic devices.

Computational Approaches to Energy Materials (Wiley).

Available from Amazon.