Intelligent Structure Searching and Designs for Nanoclusters: Effective Units in Atomic Manufacturing
Junfeng Gao,
Luneng Zhao,
Yuan Chang
et al.
Abstract:Clusters, an aggregation of several to thousands of atoms, molecules, or ions, are the building blocks of novel functional materials by atomic manufacturing and exhibit excellent applications in catalysis, quantum information, and nanomedicine. The evolution of cluster structures has been studied for many years. Many effective structural search methods, such as genetic algorithm, basin‐hopping, and so on, have been developed. However, the efficient execution of these methods relies on precise energy calculator… Show more
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