AI models atom movement to predict solid-state reaction pathways, including impurities, in minutes

A research team at the Department of Energy’s Lawrence Berkeley National Laboratory (Berkeley Lab) has successfully demonstrated an AI modeling approach that accurately and rapidly predicts how reactions between solid materials unfold over time. It is the first predictive model that accounts for how atoms travel through materials during solid-state reactions. Importantly, its predictions provide practical insights into the best recipes for making advanced materials.