Steven Corcelli

Steven Corcelli is a Professor and Interim Dean of the College of Science at the University of Notre Dame, with a joint appointment in the Department of Chemistry and Biochemistry. He has held key leadership roles including Department Chair (2022–2025) and Associate Dean for Interdisciplinary Studies (2019–2022). His research is centered in the Computational Molecular Science & Engineering Laboratory (CoMSEL), where he leads a team exploring molecular and biomolecular systems through advanced simulations.

Education:

• Ph.D. in Chemistry, Yale University, 2001
• Sc.B. in Chemistry, Brown University, 1997

His research interests bridge theoretical and experimental physical chemistry, with a strong emphasis on aqueous electrolytes, biomolecular binding, and vibrational spectroscopy. He employs GPU-accelerated molecular dynamics and enhanced sampling techniques to study ion transport in aqueous solutions and the mechanisms of protein-DNA and protein-protein interactions, particularly in immunological contexts such as T-cell receptor binding. His work has significant implications for battery technologies and drug design.

The 15 most recent publications reveal a consistent focus on molecular simulation, biophysical chemistry, and spectroscopy, with recurring themes in DNA-ligand binding, ion solvation, and immune recognition. His group develops and applies novel computational methods, such as the coupled local mode approach, to interpret vibrational spectra with high accuracy.

Scientific Awards:

• Thomas P. Madden Award (2020)
• Rev. Edmund P. Joyce, C.S.C. Award for Excellence in Undergraduate Teaching (2019, 2012)
• Fellow, American Chemical Society (2016)
• Sloan Research Fellowship (2009)
• NSF CAREER Award (2009)
• Camille and Henry Dreyfus New Faculty Award (2005)
• Kavli Fellow, National Academies of Science (2011)

Corcelli has advised numerous graduate students and postdoctoral researchers, many of whom have gone on to successful careers in academia and industry. His lab collaborates extensively with experimental groups, particularly in spectroscopy and immunology. He has secured substantial research funding and published over 85 peer-reviewed articles. His lab, CoMSEL, benefits from high-performance computing resources through the Center for Research Computing at Notre Dame, enabling large-scale simulations of complex molecular systems.

Research Labs and Teams:
The Computational Molecular Science & Engineering Laboratory (CoMSEL) is a multidisciplinary research group that combines theoretical chemistry, biophysics, and materials science. The team includes graduate students and staff scientists working on projects ranging from fundamental solvation dynamics to applied biomedical simulations.