Theoretical-Computational Chemistry

Department of Chemistry, University of Cincinnati

Our research group studies molecular and ionic solutions with applications to interfacial chemistry, catalysis, the energy sciences, surfactants, and biophysics. We utilize both classical and quantum theoretical methods to examine how molecules and ions interact at a fundamental level, and how those interactions lead to collective behavior in condensed phases.

Example applications related to our research are electrochemistry, batteries, supercapacitors, water splitting reactions, mixture phase behavior in surfactant solutions, and ion channels.