Single Atom Alloys Segregation in the Presence of Ligands

Published in The Journal of Physical Chemistry C, 2023

This paper investigates single atom alloy segregation in the presence of ligands, contributing to neural architecture design, hyper-parameter optimization, and fair assessment of ML models for materials science applications.

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Recommended citation: Salem, M., Loevlie, D. J., Mpourmpakis, G. (2023). "Single Atom Alloys Segregation in the Presence of Ligands." The Journal of Physical Chemistry C. 127(46):22790-22798.
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