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General Information

Full Name Tom Demeyere
Languages French (native), English (fluent)

Education

  • 2020 - 2024
    Industrial PhD (Coupling of Modern Computational Techniques to Study the Oxygen Reduction Reaction)
    University of Southampton, Southampton, UK
    • Computational chemistry and materials science PhD focusing on studying the Oxygen Reduction Reaction on platinum catalysts.
    • Collaborating with Johnson Matthey, a global leader in sustainable technologies.
  • 2018 - 2020
    MSc
    Lille University, Lille, France / Jagiellonian University, Kraków, Poland
    • First year, "Molecular Dynamics and Chemical Reactivity" at Lille University, France.
    • Second year, "Advanced Spectroscopy in Chemistry" International Master's program via the Erasmus Mundus program at Jagiellonian University, Poland.
    • Master's thesis
      • Development of a Basin-Hopping Algorithm to Study the Adsorption of Molecules on Semi-Conductors
  • 2014 - 2018
    BSc
    Lille University, Lille, France
    • Bachelor's degree in Physics and Chemistry
    • Bachelor's project
      • Using Fluorescence Spectroscopy to Study Degradation of Pollens in the Atmosphere

Skills

  • Programming: Proficient in Python, Julia, Bash. Familiar with Java, C, and Fortran.
  • Software: VASP, Quantum Espresso, ONETEP, LAMMPS, ASE, QuAcc, Parsl, Dask, Covalent, Git, Inkscape, Illustrator, Visual Studio Code.
  • Techniques: (Linear-Scaling) DFT, MD, MC, Machine Learning, Data Analysis, Workflow Engines.

Side Projects

  • 2022 - now
    (Contributor) Atomic Simulation Environment (ASE)
    • Implemented MD-specific codes (Bussi thermostat), developed calculators for DFT codes, and contributed to the core library.
  • 2023 - now
    (Contributor) Quantum Accelerator (QuAcc)
    • Worked on implementing concurrent workflows using workflow engines (Dask, Fireworks, Parsl, ...) and contributed to the core library.