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.

Angela discusses how to use computational physics to study Li-ion batteries at CamFest

04 April 2021

As part of the 2021 virtual CamFest, Angela submitted a video explanation for the general public about how she uses computational physics to study Li-ion batteries as part of her PhD.

Full Video

Congratulations to Jordan Dorrell for receiving the best poster prize at MCCM 2021!

07 January 2021

Jordan Dorrell was awarded the Midlands Computational Chemistry Meeting 2021 best poster prize. Jordan presented a poster titled “Machine Learning Random Structure Searching for Li-Ni-S Cathode Discovery”.

Congratulations to James Darby for passing his PhD viva!!

12 November 2020

The biggest congratulations to Dr. James “Big Jim” Darby for passing his PhD viva, everyone in the group is incredibly excited for him. During his PhD, James worked on refining his skills in coffee art using the TCM Coffee Machine, until it was shut down in March of 2020. After...