New developments in evolutionary structure prediction algorithm USPEX

Computer Physics Communications

Volumn 184, Issue 4, 2013, Pages 1172-1182

  Lyakhov, Andriy O ^a   Oganov, Artem R ^a,b   Stokes, Harold T ^c   Zhu, Qiang ^a  

^a STONY BROOK UNIVERSITY   (United States)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

^c Brigham Young University   (United States)

Author keywords

Cluster structure prediction; Crystal structure prediction; Evolutionary algorithms; Fingerprint function; Genetic algorithms; Global optimization; Particle swarm optimization

Indexed keywords

CLUSTER STRUCTURE; CRYSTAL STRUCTURE PREDICTION; LOCAL ENVIRONMENTS; LOCAL MINIMUMS; METADYNAMICS; STATE-OF-THE-ART ALGORITHMS; STRUCTURE PREDICTION; SYMMETRIC STRUCTURES; UNIT CELLS; VARIATION OPERATOR;

ALGORITHMS; EVOLUTIONARY ALGORITHMS; FORECASTING; GENETIC ALGORITHMS; GLOBAL OPTIMIZATION; PARTICLE SWARM OPTIMIZATION (PSO);

CRYSTAL ATOMIC STRUCTURE;

EID: 84873192032     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2012.12.009     Document Type: Article

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