Center for Sustainable Energy at Notre Dame



Steven Corcelli

Office:  260A Stepan Chemistry Hall

Phone:  574-631-2631


Department Website

Current Positions
Associate Professor, Department of Chemistry and Biochemistry
Director of Graduate Studies

Ph.D., Chemistry, Yale University
Sc.B., Chemistry, Brown University

Research Interests
Ionic liquids (ILs) have attracted enormous experimental and theoretical interest because of their unique physical and chemical properties. These properties can be designed for specific energy applications by synthetically modifying the molecular ions in the liquid or by forming suitable mixtures of ILs with other solvents. Rationally tuning the properties of ILs for specific applications in energy research is an important challenge. My research group uses molecular dynamics (MD) simulations to understand the fundamental properties of ILs and their mixtures with water, organic solvents, and carbon dioxide. These simulations aid in the design and interpretation of spectroscopic measurements aimed at elucidating the structure and dynamics of ILs.

Relevant Energy Publications

  1. Z. L. Terranova and S. A. Corcelli, “A Molecular Dynamics Investigation of the Vibrational Spectroscopy of Isolated Water in an Ionic Liquid,” (James L. Skinner Festschrift) Journal of Physical Chemistry B 118, 8264 (2014).
  2. Z. L. Terranova and S. A. Corcelli, “On the Mechanism of Solvation Dynamics in Imidazolium-Based Ionic Liquids,” (Michael D. Fayer Festschrift) Journal of Physical Chemistry B 117, 15659 (2013).