My research uses solid state physics, quantum chemistry 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 an Associate Professor at 51 and a Fellow of the . I was previously a PhD student and post-doc in the Materials Design Group at Imperial College London, where I was awarded the Thomas Young Centre at Imperial award for my thesis "Defects and distortions in hybrid halide perovskites".
I received my FHEA in 2021 and currently teach computational physics, introductory quantum mechanics and research computing skills at UG and PG level. I am a qualified teacher in post-compulsory education (PGCE, 2012) and previously taught mathematics in schools and prisons.
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My research interests are centred around materials used for renewable energy generation (e.g. solar cells) and storage (e.g. reusable batteries). I use atomistic simulations techniques to predict the properties of materials and link the macroscopic observables (such as open circuit voltage or thermodynamic stability) with microscopic processes (such as electron capture or electron-phonon coupling). Our atomic scale models can be used to rationalise existing experimental observations, or guide future investigations. For example, it canor.
I use a range of simulation techniques including Density Functional Theory, Lattice Dynamics, Molecular Dynamics and Machine-Learned Interatomic Potentials. I have a particular interest in structural phase transitions, thermodynamics and defect physics. My research has mostly focused on halide and chalcogenide perovskite materials.
I am interested in how we can improve research practice in the computational sciences, with a particular interest in how we can work in an open and interdisciplinary way, and how we can best share and publish research software. I am a fellow of the , an Associate Editor at the, Theme Lead in theand a co-lead in.
Many people, particularly those from under-represented groups in STEM, feel uncomfortable in the computational physics community. It doesn't have to be this way. My small contribution towards progress on this front is as co-organiser for the
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