Research output per year
Research output per year
Dr
Accepting PhD Students
DFT is an ab-initio method derived from quantum mechanics and can be used to predict material properties without experimental input. The resulting atomic scale models can be used to guide experimental investigations - for example, to predict a new material with a particular target property.
When DFT is applied to crystalline materials it is usually assumed that there is perfect translational symmetry - that there are no defects (missing or extra atoms) - and that the atoms are perfectly static. However a real material always has defects, and the atomic lattice vibrates with heat. These defects and vibrations are important to understand because they can have a large impact upon the performance of a device. A large part of my research has focused on the modelling the defects and vibrations of hybrid halide perovskites, a family of materials that have become incredibly popular over the last decade as they can convert sunlight into electricity efficiently, and have the potential to form more flexible, lightweight and cheaper solar panels than those currently on the market.
My research uses computational chemistry, solid state physics and high-perforance computing to investigate why particular materials can efficiently generate energy from sunlight (solar cells), or repeatedly store and release energy (rechargeable batteries). I am a Vice-Chancellor’s Fellow at Northumbria University, and was previously a PhD student and post-doc in the Materials Design Group at Imperial College London.
I am a qualified teacher in post-compulsory education and currently teach research computing skills to post-graduate students and staff. As a fellow of the Software Sustainability Institute I am interested in how we can improve research practice in the computational sciences - with a focus on working openly and software publishing.
Materials Science, PhD, Imperial College London
1 Oct 2015 → 30 Sep 2019
Award Date: 1 Jan 2020
Teacher Training, PGCE, Birmingham City University
1 Oct 2011 → 1 Jul 2012
Award Date: 1 Jul 2012
Theoretical Physics, University of Birmingham
1 Oct 2007 → 1 Jul 2011
Award Date: 19 Jul 2011
Software Sustainability Institute
1 Mar 2019 → …
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Letter › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review