Professors Weeks and Tiwary Awarded a DOE-Office of Science Grant

IPST/Chemistry and Biochemistry Professors John Weeks and Pratyush Tiwary’s grant will develop and apply new theoretical and computational tools for the study of thermodynamics and kinetics of nucleation and solvation in nonuniform polar liquids, focusing on processes occurring at solid-liquid and liquid-vapor interfaces.  Weeks and Tiwary hope to develop appropriately modified AI algorithms that work in conjunction with intuitive general physical ideas, each suggesting qualitatively new directions, with AI carrying out most of the detailed quantitative connections and extensions on its own.  DOE-Office of Science, $727,010, “Modeling liquids, interfaces and nucleation with Local Molecular Field theory and Artificial Intelligence sampling methods”.