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J. Daniel Gezelter

Professor; Department Chair · College of Science · University of Notre Dame

Quick answer: J. Daniel Gezelter is Professor; Department Chair at University of Notre Dame. J. Daniel Gezelter shows an active PhD hiring signal as of 2026-09-11.

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Research interests

Research in the Gezelter group involves theoretical and computational studies of the dynamics of complex, condensed-matter systems. Some areas of particular interest include: enantiomeric separation using fluid flow, dynamics at ice-water interfaces, and the mechanism of thermal transport. The group simulates ligand-capped metallic nanoparticles in liquid environments, ice-water interfaces, and metal surfaces that are partially oxidized.

Selected publications (since 2023)

[2025] Harless, B. M., Sindelar, J. K., and Gezelter, J. D. "Molecular Dynamics of Ice-Active Solutions at Ice-Water Interfaces" 2025 Journal of Chemical Physics, 163, 054116. DOI: https://doi.org/10.1063/5.0282695 [2025] Shavalier, S. A. and Gezelter, J. D. "Thermal Transport through CTAB- and MTAB-Functionalized Gold Interfaces using Molecular Dynamics Simulations" 2025 Journal of Chemical Information and Modeling, 65 (2), pp.811–824. DOI: 10.1021/acs.jcim.4c02195. [2024] Drisko, C. R. and Gezelter, J. D. "A Reverse Nonequilibrium Molecular Dynamics Algorithm for Coupled Mass and Heat Transport in Mixtures" 2024 Journal of Chemical Theory and Computation, 20 (12), pp.4986-4997. [2023] Shavalier, S. A. and Gezelter, J. D. "Heat Transfer in Gold Interfaces Capped with Thiolated Polyethylen
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Frequently asked questions

Is J. Daniel Gezelter hiring PhD students at University of Notre Dame?
Yes. As of 2026-09-11, J. Daniel Gezelter's faculty page shows a PhD hiring signal: Prospective Graduate Students Request More Information Apply.
What does J. Daniel Gezelter research?
Research in the Gezelter group involves theoretical and computational studies of the dynamics of complex, condensed-matter systems. Some areas of particular interest include: enantiomeric separation using fluid flow, dynamics at ice-water interfaces, and the mechanism of thermal transport. The group

Data last updated: 2026-09-11 · Source: phd-match.com faculty database.

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