Steven A. Corcelli is a Professor and Interim Dean of the College of Science at the University of Notre Dame, with a research focus on Theoretical Chemistry and Molecular Dynamics Simulations . His work bridges Physical Chemistry and Biochemistry , targeting Energy Applications and Biomolecular Binding Mechanisms . He leads the Computational Molecular Science & Engineering Laboratory (CoMSEL). Ph.D., Chemistry, Yale University (2001) Sc.B., Chemistry, Brown University (1997) Research interests span ionic liquids for Carbon Capture , aqueous electrolytes in battery technologies , and molecular binding processes in immunology and DNA interactions . His group employs GPU-accelerated simulations and weighted ensemble methods to uncover structural and dynamic motifs. Recent publications highlight trends in vibrational spectroscopy , TCR-MHC binding , and CO2 solvation mechanisms . Awards include the Thomas P. Madden Award (2020) , ACS Fellowship (2016) , and NSF CAREER Award (2009) . Staff: Erin Brossard (Ph.D.), Nell Karpinski, Shuang Wu, Noah Vasconez, Kaitlyn Handy, Isabel Thompson








