Computational Scientist at STFC, UK

Mostly working on first-principles simulation of vibrational spectroscopy with inelastic neutron scattering (INS)

• AbINS (incoherent phonon scattering with instrument corrections)
• Euphonic (Fourier interpolation and coherent phonon scattering)

I also maintain/contribute-to/neglect some other Python-based atomistic simulation tools

• Sumo (plotting and simple analysis)
• ASE (Python API to 30+ atomistic calculators)
• Galore (Valence-band photoelectron spectroscopy)
• kgrid (simple tool for choosing Monkhorst-Pack grids)