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The Journal of Physical Chemistry Letters|August 13, 2015
Directing Anisotropic Assembly of Metallic Nanoclusters by Exploiting Linear Trio Interactions and Quantum Size Effects: Au Chains on Ag(100) Thin FilmsYong Han, James W Evans
The Journal of Chemical Physics|November 2, 2015
Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculationsYong Han, James W Evans
The Journal of Chemical Physics|August 16, 2024
Versatile stochastic model for predictive KMC simulation of fcc metal nanostructure evolution with realistic kineticsYong Han, James W Evans
The Journal of Chemical Physics|November 10, 2016
Catalytic conversion in nanoporous materials: Concentration oscillations and spatial correlations due to inhibited transport and intermolecular interactionsAndrés García, James W Evans
ACS Nano|July 31, 2024
Real-Time KMC Simulation of Vacancy-Mediated Intermixing in Au@Ag Octahedral Core-Cubic Shell Nanocrystals with Ab Initio-Guided KineticsYong Han, James W Evans
The Journal of Chemical Physics|April 10, 2015
Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressureDa-Jiang Liu, James W Evans
The Journal of Chemical Physics|July 10, 2023
Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: A MD study using machine learning potentialsDa-Jiang Liu, James W Evans
Physical Review. E|February 18, 2017
Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamicsDavid M Ackerman, James W Evans
The Journal of Chemical Physics|May 24, 2014
Statistical mechanical models for dissociative adsorption of O₂ on metal(100) surfaces with blocking, steering, and funnelingJames W Evans, Da-Jiang Liu
The Journal of Chemical Physics|June 1, 2022
Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing machine learning derived potentialsDa-Jiang Liu, James W Evans
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