Research
My academic work has focused on chemical representations, high-throughput materials screening and navigating large crystal-chemical search spaces. My current work extends that background into atomistic machine learning and scientific ML systems.
2026
Kinga O. Mastej, Anthony Onwuli, Alexander Moriarty, Daniel W. Davies, Ryan Nduma, Keith T. Butler, Jiwoo Lee, Masahiro Negishi, Panyalak Detrattanawichai, Alex M. Ganose, Hyunsoo Park, Rhys E. A. Goodall, Tianshu Li, Aron Walsh
Journal of Open Source Software 11(126), 11015 · Article
2026
Janine George et al., including Anthony Onwuli
arXiv:2610.23538 · Preprint
2026
Kinga O. Mastej, Panyalak Detrattanawichai, Hyunsoo Park, Anthony Onwuli, Masahiro Negishi, Aron Walsh
arXiv preprint arXiv:2607.17910 · Preprint
2025
Sterling G. Baird et al., including Anthony Onwuli
ChemRxiv · Preprint
2025
Hyunsoo Park, Anthony Onwuli, Aron Walsh
Nature Communications 16, 4379 · Article
2025
Hyunsoo Park, Anthony Onwuli, Keith T. Butler, Aron Walsh
Faraday Discussions 256, 601–613 · Article
2024
Anthony Onwuli, Keith T. Butler, Aron Walsh
APL Machine Learning 2(3) · Article
2023
Anthony Onwuli, Ashish V. Hegde, Kevin V. T. Nguyen, Keith T. Butler, Aron Walsh
Digital Discovery 2, 1558–1564 · Article
Thesis
Imperial College London · 2024