馃帗 PhD Researcher in Machine Learning for Materials Discovery 路 Imperial College London
馃挕 Passionate about open, reproducible science and the development of machine-learning models that accelerate materials discovery
My research interests include:
- 馃З Generative models for inorganic solids
- 鈿涳笍 Geometric graph neural networks
- 馃攱 Quantitative evaluation of generative models
- 馃搳 Open and reproducible software for atomistic machine learning
Machine Learning: PyTorch 路 Lightning 路 PyTorch Geometric 路 scikit-learn
Atomistic Modelling: ASE 路 MACE 路 Pymatgen 路 Materials Project API
Automation & HPC: Snakemake 路 Hydra 路 SLURM 路 W&B
Software Engineering: Git 路 GitHub Actions 路 pytest 路 Docker 路 Poetry
Reproducibility: Zenodo 路 Sphinx 路 Jupyter
Outside research, I enjoy science communication and collaborative software projects that bring transparency to data-driven materials design
馃 Open to collaborations on generative modelling, dataset curation, and reproducibility in materials informatics