My research interests include computational materials science, density functional theory, quantum chemistry, condensed matter and nuclear magnetic resonance.
I also work on projects that seek to enhance democracy in the UK, generally trying to bring it into the 21st century! Recently this has included helping with YourNextMP and personally building ElectionMentions, which has also doubled as a platform for trying to understand practical natural language processing and machine learning.
CASTEP is a leading DFT code for the calculation of a wide rage of material properties. I am a contributor to the core and the NMR module, CASTEP-NMR.
MagresPython is a library for processing the output of ab-initio magnetic resonance calculations. This is based on the CCP-NC Magres file format, which I developed with my supervisor during my thesis. The goal was to unify the output format of scientific software that calculates NMR parameters into a single, very simple format, allowing shared development of further tooling.
Democracy Club is a non-partisan voter engagement, micro-volunteering and crowdsourcing project that I helped co-found for the 2010 UK General Election, collaborating with a number of other websites to improve accountability and voter information.
It was restarted by a new group for the 2015 UK General Election as an umbrella project for non-partisan websites such as YourNextMP, which crowdsourced the only openly licensed database (CC-BY-SA) of candidates.
For 2015, I helped gather data, administer things and write code. I personally ran my experimental website, ElectionMentions, which uses the candidate database to track mentions of candidates in the national and local press — hoping to provide voters with better information about who their candidates are, what they've done, and what they've said.