My project is simulating high-resolution transmission electron microscopy experiments using DFT. Electron microscopy was a new topic for me upon starting my DPhil, and is fascinating; as a quantification tool, its applications are far-reaching. DFT is a diverse and powerful method for simulating quantum behaviour for systems of thousands of atoms, all whilst being relatively computationally cheap. It is therefore uniquely equipped to allow us to be able to quantify and understand the quantum behaviours of materials, such as charge transfer, that were previously inaccessible in EM simulations
Hi, I'm Ewan, a 2nd year DPhil student and part of the materials modelling laboratory (MML). I previously studied at the University of York for an MPhys in Theoretical Physics from 2014 to 2018. My project was on analysing the exact many-body wavefunctions of 1D 2 electron systems and making comparisons with the wavefunctions produced by density functional theory (DFT) and Hartree-Fock (HF) theory. I then joined the Materials Modelling Laboratory and STEM group in 2018 as a DPhil student.