Chemical equilibria in reactive systems underpin many natural and industrial processes, where the interplay between chemical reactions and phase separations yields complex behaviours. In these systems ...

Published in ACS Catalysis on December 21, 2025, the article introduces ChemOntology, a new artificial intelligence system that rapidly explores and analyzes chemical reactions using human-like ...

Chemical reactions are the breaking and forming of chemical bonds, which are fundamental to the creation of new technologies. Inevitably, discovering and developing new chemical reactions is a ...

Researchers present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...

Researchers successfully formalized human-like chemical reasoning into a machine-interpretable framework to enhance automated chemical reaction ...