CALYPSO: A method for crystal structure prediction

Computer Physics Communications

Volumn 183, Issue 10, 2012, Pages 2063-2070

  Wang, Yanchao ^a   Lv, Jian ^a   Zhu, Li ^a   Ma, Yanming ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Crystal structure; Particle swarm optimization algorithm; Structure prediction

Indexed keywords

BOND CHARACTERIZATION; CHEMICAL COMPOSITIONS; CRYSTAL STRUCTURE ANALYSIS; CRYSTAL STRUCTURE PREDICTION; EXTERNAL CONDITIONS; PARTICLE SWARM OPTIMIZATION ALGORITHM; PENALTY FUNCTION; RANDOM STRUCTURES; STABLE STRUCTURES; STRUCTURAL DIVERSITY; STRUCTURE PREDICTION; SYMMETRY CONSTRAINTS;

ALGORITHMS; FORECASTING; PARTICLE SWARM OPTIMIZATION (PSO);

CRYSTAL STRUCTURE;

EID: 84863092739     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2012.05.008     Document Type: Article

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