Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

Journal of Chemical Physics

Volumn 139, Issue 22, 2013, Pages

  Nielsen, Jens ^a   D'Avezac, Mayeul ^a   Hetherington, James ^a   Stamatakis, Michail ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC PERFORMANCE; COMPUTATIONAL COSTS; HETEROGENEOUS CATALYST; KINETIC MONTE CARLO SIMULATION; LATERAL INTERACTIONS; LONG RANGE INTERACTIONS; NEAREST-NEIGHBOR INTERACTIONS; SURFACE-BOUND SPECIES;

ADSORBATES; APPLICATION PROGRAMMING INTERFACES (API); CATALYST ACTIVITY; EXPANSION; GRAPH THEORY; MONTE CARLO METHODS; REACTION KINETICS;

KINETICS;

EID: 84903362014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4840395     Document Type: Article

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