Kookmin University research team develops AI model to predict properties of mixtures

A Kookmin University research team has developed an artificial intelligence (AI) model that predicts the properties of mixtures based on the proportions of their chemical components. The university said Thursday that the team was led by Joung Joon-young, a professor in the Department of Chemistry at the university’s Graduate School. The team included Kim Ji-hwan, a student in the university’s integrated master’s and doctoral program, and Kim Chan-joong, an undergraduate student. The findings were published in the Chemical Engineering Journal under the title “Encoding composition-dependent intermolecular interactions into learned molecular representations.” Most chemical products people encounter in everyday life are mixtures of multiple substances rather than single compounds. Common examples include industrial solvents, electrolytes in batteries, automotive fuels, and cosmetic and pharmaceutical formulations. The properties of a mixture depend not only on which substances it contains but also on the proportions in which they are combined. These changes, however, do not necessar