A two-stage approach to the optimization of the ground state energy of gold atomic clusters
Conference: ICMLCA 2021 - 2nd International Conference on Machine Learning and Computer Application
12/17/2021 - 12/19/2021 at Shenyang, China
Proceedings: ICMLCA 2021
Pages: 4Language: englishTyp: PDF
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Authors:
Tang, Yaokun; Wang, Wei (School of Computer Science and Technology, Anhui University of Technology, Ma'anshan, Anhui, China)
Xiang, Yifan; Xu, Zhenxing (School of Management Science and Engineering, Anhui University of Technology, Ma'anshan, Anhui, China)
Abstract:
Au20 clusters have important applications in many fields and their configuration in the lowest energy state can exploit the excellent properties of Au20 clusters. Therefore, it is important to search for the lowest energy of Au20 clusters based on global optimisation algorithms in order to construct their global optimal structures. The Basin-Hopping algorithm is improved to obtain the Basin-Hopping algorithm based on simulated annealing, and then the structure is further optimised by improving the external drift operator operation to search for the global optimal structure of Au20 clusters. The two-stage optimisation algorithm results in a 30%-35% reduction in the minimum energy of the Au20 clusters compared to the initial energy, and a new globally optimised structure is obtained and visualised, providing a good basis for further research into the excellent performance of the Au20 clusters.