The A. J. Morris Group

Computational Modelling for Energy Materials


We are a computational materials modelling group in the Materials and Metallurgy Department of the University of Birmingham. We use density-functional theory and other atomistic level modelling techniques to discover new materials for energy applications.
The creation of new materials is both difficult and expensive. It is very difficult to “see” the structure of these materials over the length scales that they work and very expensive to create prototype materials to test. Whilst experimental physics can use x-rays, high energy electrons or neutrons to infer the structure of these materials, this inference is made much more robust when combined with theoretical predictions of the kinds of structures that can be formed. In a computer we use quantum mechanical calculations to simulate the results of these kinds of experiments, helping to understand materials and suggest new materials with the kind of properties desired.

Congratulations to Angela on her successful PhD viva!

30 August 2022

Sincere congratulations to Angela for passing her PhD viva at the University of Cambridge! Having been part of the Morris Group since her MPhil, we are all so proud of her many achievements during her time in the group. We all wish her the very best in her future career!


Dr Hrishit Banerjee receives the Poster Commendation Award at the Psi-k 2022 conference

25 August 2022

Congratulations to Hrishit for receiving the Poster Commendation award at the Psi-k 2022 conference for the poster “The importance of electronic correlations in exploring the exotic phase diagram of Li ion battery cathodes”, as part of the symposium C2 dedicated to Functional materials and devices.

New article in Chemistry of Materials

01 August 2022

K-ion batteries (KIBs) have the potential to offer a cheaper alternative to Li-ion batteries (LIBs) using widely abundant materials. Conversion/alloying anodes have high theoretical capacities in KIBs, but it is believed that electrode damage from volume expansion and phase segregation by the accommodation of large K-ions leads to capacity loss...

Congratulations Professor Andrew Morris

01 August 2022

Andrew thanks his research group and all his collaborators on his promotion to Professor of Computational Physics.