Charles Matthews


Applied Mathematician, interested in sampling problems for big data in Molecular Dynamics, Machine Learning and Bayesian Inversion.

Current position: Lead data scientist at Fuelbetter Technologies (London, UK).

I obtained my PhD in Applied Mathematics in 2013, working on splitting methods for Langevin Dynamics (see my thesis here). I was a postdoc in Statistics at The University of Chicago (2014-2018) and a postdoc in Machine Learning methods at The University of Edinburgh (2018-2019).

I enjoy working on practical problems at the intersection of mathematics and computer science. In the past I’ve worked on novel integration methods for molecular dynamics, Bayesian sampling schemes for cosmology, modeling cascade failures in power networks, and training neural networks for renewable energy.

I mostly write code in Python (Python 3, Jupyter, Cython) but can be found also developing in C/C++/C# where needed. Experienced in SQL, Matlab, Fortran, Java, and Javascript as well. I deploy code using Git and Docker, to servers in the cloud in AWS or SLURM or Sun Grid.


Feb 28, 2021 The Fuelbetter app is live on Apple iOS! Nice to have the data I’ve been working on available for public consumption (pun intended). It still amazes me how accurate the machine learning reverse-engineering can be.
Oct 11, 2020 Working on a new side-project RACECAR, used for learning a noisy gradient correction on-the-fly.
Apr 4, 2020 Officially started working at Fuelbetter Technologies as the lead in machine learning and data science, based in London. The role involves developing algorithms for solving statistical inverse problems at scale, by writing and deploying code that reverse-engineers food nutrition for over a million packaged food items.

selected publications

  1. Molecular Dynamics with Deterministic and Stochastic Numerical Methods
    Leimkuhler, Ben, and Matthews, Charles
  2. Langevin Markov Chain Monte Carlo with stochastic gradients
    Matthews, Charles, and Weare, Jonathan
  3. Umbrella sampling; A powerful method to sample tails of distributions
    Matthews, Charles, Weare, Jonathan, Kravtsov, Andrey, and Jennings, Elise
    Monthly Notices of the Royal Astronomical Society 2018