Simultaneous prediction of atomic structure and stability of nanoclusters in a wide area of compositions

We present a universal method for the large-scale prediction of the atomic structure of clusters. Our algorithm performs the joint evolutionary search for all clusters in a given area of the compositional space and takes advantage of structural similarities frequently observed in clusters of close c...

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Hauptverfasser:	Lepeshkin, S. V, Baturin, V. S, Uspenskii, Yu. A, Oganov, Artem R
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Materials Science
Online-Zugang:	Volltext bestellen
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