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Stephen Kerr

PhD candidate in computational materials science at Queen's University. Studying defect mechanisms in alloys using DFT and molecular dynamics.

Publications

A selection of peer-reviewed publications, preprints, talks, and posters. For full citations or PDFs, see each entry. If you need a copy, please contact me.

Graphical abstract for Chromium Raises Vacancy Concentration and Promotes Grain-Boundary Al Segregation in Ni–Cr–Al

Chromium Raises Vacancy Concentration and Promotes Grain-Boundary Al Segregation in Ni–Cr–Al

Stephen T.W. Kerr, Keyvan Ferasat, Yasaman Ghaffari, Laurent Karim Béland

Scripta Materialia (Submitted - SSRN 5759303) (2025)

Preprint

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C-C Bonding in Molecular Systems via Cross-Coupling-like Reactions Involving Noncovalently Bound Constituent Ions

Stephen Kerr, Fedor Y. Naumkin

Molecules 29, 4429 (2024)

Journal

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Modelling of molecule-inside-dipole complexes: through-vs. around-molecule ion transfer

Stephen T.W. Kerr

Queen's University (PhD Thesis) (2023)

Thesis

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Noncovalently bound complexes of polar molecules: Dipole-inside-of-dipole vs. dipole–dipole systems

S. Kerr, F.Y. Naumkin

New Journal of Chemistry 41(22) (2017)

Journal

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Rational design of a material for rapid colorimetric Fe²⁺ detection

Nadia O. Laschuk, Iraklii I. Ebralidze, Simone Quaranta, Stephen T.W. Kerr, Jacquelyn G. Egan, Scott Gillis, Franco Gaspari, Alessandro Latini, Olena V. Zenkina

Materials and Design 107 (2016)

Journal

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