Steven A. Corcelli

University of Notre Dame — United States

Physics and Astronomy · Physical Sciences

36h-index6.2kcitations122works1.72yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(57), Advanced Chemical Physics Studies(17), Photochemistry and Electron Transfer Studies(17), DNA and Nucleic Acid Chemistry(16), Molecular Junctions and Nanostructures(14)

Publications122 total

LLMs4All: A Review of Large Language Models Across Academic Disciplines
Preprints.org·2025Open Access
LLMs4All: A Review of Large Language Models Across Academic Disciplines
arXiv (Cornell University)·2025Open Access
Inhibited Hydrolysis of 4-(<i>N</i>,<i>N</i>-Dimethylamino)aryl Imines in a Weak Acid by Supramolecular Encapsulation inside Cucurbit[7]uril
The Journal of Organic Chemistry·2025
Dynamic allostery in the peptide/MHC complex enables TCR neoantigen selectivity
Nature Communications·2025· 7 citedOpen Access
Dynamic allostery in the peptide/MHC complex enables TCR neoantigen selectivity
2024· 2 citedOpen Access
Mechanism of Daunomycin Intercalation into DNA from Enhanced Sampling Simulations
The Journal of Physical Chemistry Letters·2024· 3 cited
Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers
Physical Chemistry Chemical Physics·2024Open Access
The Energetic Landscape of Catch Bonds in TCR Interfaces
The Journal of Immunology·2023· 16 citedOpen Access
Molecular Mechanism of Ligand Binding to the Minor Groove of DNA
The Journal of Physical Chemistry Letters·2023· 16 cited
Coupled local mode method for simulating vibrational spectroscopy
The Journal of Chemical Physics·2022· 2 cited
Simulating the binding of a T cell receptor to a peptide-bound major histocompatibility complex
Biophysical Journal·2022· 2 cited
Elucidating the binding mechanism of Hoechst 33258 to a DNA duplex
Biophysical Journal·2022
Correction to Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
Chemical Reviews·2021· 2 citedOpen Access
Coupled Local-Mode Approach for the Calculation of Vibrational Spectra: Application to Protonated Water Clusters
The Journal of Physical Chemistry Letters·2021· 5 cited
Local Electric Fields in Aqueous Electrolytes
The Journal of Physical Chemistry B·2021· 21 cited
Nonlinear measurements of kinetics and generalized dynamical modes. II. Application to a simulation of solvation dynamics in an ionic liquid
The Journal of Chemical Physics·2021· 4 cited
Spectroscopic and Structural Characterization of Water-Shared Ion-Pairs in Aqueous Sodium and Lithium Hydroxide
The Journal of Physical Chemistry B·2021· 28 cited
DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site
Communications Biology·2020· 45 citedOpen Access
Methylisatin Structural Isomers Have Different Kinetic Pathways to Self-Assembly
The Journal of Physical Chemistry C·2020· 1 cited
Hydrogen Bond Exchange and Ca<sup>2+</sup> Binding of Aqueous <i>N</i>-Methylacetamide Revealed by 2DIR Spectroscopy
The Journal of Physical Chemistry B·2020· 14 cited
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Frequent Co-authors

J. L. Skinner(12), Ryan P. Forrest(7), C. P. Lawrence(6), Craig S. Lent(6), Kristina E. Furse(6), Natalie A. Wasio(5), Rebecca C. Quardokus(5), S. Alex Kandel(5), John B. Asbury(4), Tobias Steinel(4), M. D. Fayer(4), Brian M. Baker(4), John A. Christie(4), Kenneth W. Henderson(4), Beth A. Lindquist(4), Clyde A. Daly(4), Cory M. Ayres(3), Sean Garrett-Roe(3), Andrei Tokmakoff(3), J. R. Schmidt(3)