Walsh Materials Design Group

Electronic Structure of 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 understand chemical processes and solve physical problems and at the nanoscale.

Our research in computational materials science covers the condensed-matter physics and solid-state chemistry of functional materials, including metal oxides, chalcogenides, halides, and metal-organic frameworks. Key applications involve energy conversion, storage and transport, in particular, for thermoelectric, ferroelectric, and photovoltaic devices.

Computational Approaches to Energy Materials (Wiley).

Available from Amazon.