Welcome to the McDaniel Research Group! Our group develops and applies theoretical and computational methods to solve a diverse range of problems in chemistry and materials science. We utilize ab initio electronic structure methods, high-performance molecular simulation, and statistical mechanical theory to understand chemical reactions and physical processes in condensed phase systems, with a particular focus on electrochemical applications.  We research topics ranging from organic electrosynthesis to fundamental physical chemistry of concentrated electrolytes, and work to develop multi-scale modeling algorithms and software to enable first-principles predictions of these systems. Please explore our website to learn more about the exciting research projects going on in our group!