I’m interested in using Machine Learning 🤖
to learn the rules of Quantum Mechanics ⚡️
and simulate amorphous chemical systems 🧪
I wrote and maintain the following repositories:
🕸️ graph-pes
train and use graph-based ML models of potential energy surfaces
⚛️ load-atoms
a python package for downloading and manipulating Large Open Access Datasets for Atomistic Materials Science
💿 locache
a python package for persisting function calls to disk
🔬 digital-experiments
a lightweight tool for recording and automating coding experiments and their configuration
Find me here on Google Scholar, or visit my landing page.