Xiangcheng Shi, Dongfang Cheng, Ran Zhao, Gong Zhang, Shican Wu, Shiyu Zhen, Zhi-Jian Zhao, Jinlong Gong

Accessing complex reconstructed material structures with hybrid global optimization acceleratedviaon-the-fly machine learning

  • General Chemistry

This paper describes a multi-tribe hybrid evolutionary algorithm that combines differential evolution and genetic algorithms for surface structural optimization accelerated by an on-the-fly machine learning calculator.

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