When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

Researchers have been studying the industrial production of ammonia for a century. But they've struggled to find ways to ...

Manufactured chemicals and materials are necessary for practically every aspect of daily life, from life-saving pharmaceuticals to plastics, fuels and fertilizers. Yet manufacturing these important ...

CAMBRIDGE, MA -- When chemists design new chemical reactions, one useful piece of information involves the reaction’s transition state — the point of no return from which a reaction must proceed. This ...

A research team developed artificial intelligence technology that could find ways to improve researchers' understanding of the chemical reactions involved in ammonia production and other complex ...