Talks

Slides from conference talks, seminars and reviews. Every deck is a web page; open it in any browser.

Research Talks

Benchmarking Compositional Generalisation for Machine Learning Interatomic Potentials

NeurIPS 2026

Paper Poster Project page

Slides: 3 versions for different audiences

Conference talk

Slides

For chemists: Knowing the parts, missing the whole

Seminar version. Leads with the chemistry (functional groups, molecular dynamics, DFT) and keeps machine learning jargon light.

Slides

For computer scientists: Knowing the parts, missing the whole

Seminar version. Leads with compositional generalisation and out-of-distribution evaluation, and explains the chemistry from scratch.

Slides

Reviews

Explainable Graph Neural Network for Computational Chemistry

First-year review · Cardiff University · 2025

Slides