Christopher Patrick

The underlying aim of my research is to understand properties of materials in terms of the individual electrons and nuclei that they are made of.  This approach involves using high-performance computers to solve the quantum mechanical equations which govern the behaviour of the electrons at the sub-nanometre level.  The theoretical methods I use to solve these equations are generally based on density-functional theory (DFT).  An important aspect of my research is to connect my calculations with experimental data, both to test the accuracy of the theoretical methods, but also to help interpret the experiments.

One of the advantages of DFT is that it can be applied to study a very wide range of materials.  I began my research career studying interfaces for photovoltaics, and I maintain an interest in this area.  However, my primary research focus is on permanent magnets, particularly those containing rare earth elements.  These materials have fantastic magnetic properties, largely owing to the unusual chemical structure of the lanthanide elements.  On the theoretical side, I am particularly interested in modelling finite temperature effects, and also connecting my DFT-based electronic structure calculations to other modelling approaches.

I lecture the Y2 and Y3 courses on Electronic Structure and Prediction of Materials' Properties, and am also involved in the Y3 Atomistic Modelling Coursework option.  I am also the subject lead for Materials for the Astrophoria Foundation Year.