Crystal structure prediction using the minima hopping method

Journal of Chemical Physics

Volumn 133, Issue 22, 2010, Pages

  Amsler, Maximilian ^a   Goedecker, Stefan ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CELL SHAPES; CRYSTAL STRUCTURE PREDICTION; GROUND-STATE STRUCTURES; LENNARD-JONES MIXTURES; LOCAL MINIMUMS; SILICON CRYSTAL; STRUCTURE PREDICTION;

BINARY MIXTURES; CURVE FITTING; FORECASTING; GROUND STATE; MOLECULAR DYNAMICS;

CRYSTAL STRUCTURE;

SILICON;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SILICON; THERMODYNAMICS;

EID: 78650407021     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3512900     Document Type: Article

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