Researchers and academics I work with across computational chemistry, AI, and materials science.
University of Nottingham, UK
Leading research in AI interpretability for chemical systems; co-developing GNN-based explainability methods.
Collaborating on graph neural networks for predicting catalyst behaviour and ligand optimisation in asymmetric catalysis.
Collaborating on AI-based systems for chemical reaction optimisation using graph neural networks.
Collaborating on data-driven approaches for optimising enantioselectivity in palladium-catalysed reactions.
Universidad de Costa Rica, Costa Rica
Collaborated on predicting physical-chemical profiles of bioactive compounds and cheminformatics tool development.