Open AccessStochastic parallel algorithm of structural evolution of large Morse clusters
Author(s) -
A. N. Kovartsev,
Darya A. Popova-Kovartseva
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1368/5/052025
Subject(s) - morse code , cluster (spacecraft) , morse potential , task (project management) , algorithm , stiffness , computer science , statistical physics , physics , engineering , atomic physics , telecommunications , systems engineering , thermodynamics , programming language
The formation of large Morse atomic clusters is a complex and time-consuming task, especially when the cluster stiffness equals 14. Currently, optimal cluster conformations are known for sizes up to 240 atoms. The article proposes a parallel stochastic algorithm for the structural evolution of Morse clusters, which makes it possible to find the optimal conformations of large atomic clusters. A significant number of problems associated with the complexity of the task are resolved using the proposed algorithm for optimizing the cluster structure. The results of optimization of Morse clusters for N> 240 are given.