Wednesday, August 19, 2015

Global minimization of gold clusters by combining neural network potentials and the basin-hopping method

Nanoscale, 2015, Accepted Manuscript
DOI: 10.1039/C5NR03903G, Communication
Runhai Ouyang, Yu Xie, De-en Jiang
Neural network potentials trained by first-principles density functional theory total energies were applied to search for global minima of gold nanoclusters within the basin-hopping method. Using Au58 as an example,...
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