Countless everyday products, from plastic squeeze bottles to outdoor furniture, are derived by first turning propane into propylene.

A 2021 study in Science demonstrated that chemists could use tandem nanoscale catalysts to integrate multiple steps of the process into a single reaction—a way for companies to increase yield and save money. But it was unclear what was happening at the atomic level, making it difficult to apply the technique to other key industrial processes.

Researchers at the University of Rochester have developed algorithms that show the key atomic features driving the complex chemistry when the nanoscale catalysts turn propane into propylene.