Tim Green

I work at Google DeepMind. An academic escapee, I was previously a postdoc at the University of Oxford in the Materials Modelling Laboratory, where I also did my Ph.D. research.

My research was supervised by Jonathan Yates and thesis entitled Prediction of NMR J-coupling in condensed matter.

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.


Recent and upcoming talks

  • Every election is unique(ly identified) slides
    Citizen Beta, Newspeak House, 133 Bethnal Green Rd, London, 7 PM, 2nd December 2015.
  • Prediction of NMR J-coupling in condensed matter
    ESDG, TCM, Cavendish Laboratory, University of Cambridge, 22nd April 2015.
  • Helping citizens to better understand the General Election with online democratic tools slides
    #mysocial, Jam Factory, Oxford, 7th January 2015.
  • Ab-initio investigation of dynamics and J-coupling in Pb2ZnF6
    SMARTER4, University of Durham, 3rd September 2014.
  • Calculating J-couplings with Ultrasoft Potentials and Relativistic Effects
    NMR Crystallography: Combining Experiment and Calculation, University of Warwick, 14th January 2014.
  • Election lessons
    OpenTech, ULU, Malet St, London, 11th September 2010.

Academic code


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.


Castepy is a library for generating the input files and processing the output files of CASTEP calculations.

Other projects

Democracy Club

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.

In previous years, I also ran YourNextPCC (2012) and YourNextMEP (2014) gathering candidate data for the Police and Crime Commissioner and European Parliament elections, respectively.