A genetic algorithm for first principles global structure optimization of supported nano structures

Journal of Chemical Physics

Volumn 141, Issue 4, 2014, Pages

  Vilhelmsen, Lasse B ^a   Hammer, Bjørk ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; GENETIC ALGORITHMS; OXIDE MINERALS; RUTHENIUM;

ATOMIC-SCALE MODEL; EMPIRICAL POTENTIALS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GLOBAL STRUCTURE; METAL CLUSTER; OPTIMAL PARAMETER; STRUCTURE PREDICTION;

STRUCTURAL OPTIMIZATION;

HEAVY METAL; NANOMATERIAL; TITANIUM; TITANIUM DIOXIDE;

ADSORPTION; ALGORITHM; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMISTRY; SURFACE PROPERTY;

ADSORPTION; ALGORITHMS; METALS, HEAVY; MODELS, CHEMICAL; MODELS, GENETIC; NANOSTRUCTURES; SURFACE PROPERTIES; TITANIUM;

EID: 84905641049     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4886337     Document Type: Article

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