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 condensed-matter physics and solid-state chemistry of metal oxides, halides, and functional materials including hybrid organic-inorganic frameworks. Key applications involve energy conversion, storage and transport, in particular, thermoelectric, ferroelectric and photovoltaic devices.

Computational Approaches to Energy Materials (Wiley).

Available from Amazon.