Accelerating Ammonia Decomposition Catalyst Discovery with AI

Samuel P. Gleason, Mathilde L. D. Franckel, Martin Siron, Alan Barrios, Richard Tran, Joseph Musielewicz, Piyusa Priyadarsan Pattanaik, Anvesh Nathani, Tristan Deleu, Etienne du Fayet, Jean-Gabriel Argaud, Sagar Pal, Hannah Bull, Cory Hargus, Svetlana Heyte, Victor Schmidt, Egon Heuson, Sébastien Paul, Alexandre Duval

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: AI for Materials Discovery, AI for Chemistry, Catalysis, Generative Models, Machine Learning Interatomic Potentials, High-Throughput Experiments

TL;DR: We combine generative AI, predictive modelling, and high-throughput experiments to rapidly discover low cost and synthesizable ammonia decomposition catalysts that outperform industrial benchmarks.

Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.

Submission Number: 252