The process of catalysis—in which a material speeds up a chemical reaction—is crucial to the production of many of the chemicals used in our everyday lives. But even though these catalytic processes ...

Most of the drugs, plastics, and industrial materials widely used today are produced through chemical reactions. In general, most high-performance and sophisticated substances have complex structures, ...

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 ...