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Accessing complex reconstructed material structures with hybrid global optimization accelerated via on-the-fly machine learning
The complex reconstructed structure of materials can be revealed by global optimization. This paper describes a hybrid evolutionary algorithm (HEA) that combines differential evolution and genetic algorithms with a multi-tribe framework. An on-the-fly machine learning calculator is adopted to expedi...
Autores principales: | Shi, Xiangcheng, Cheng, Dongfang, Zhao, Ran, Zhang, Gong, Wu, Shican, Zhen, Shiyu, Zhao, Zhi-Jian, Gong, Jinlong |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10445438/ https://www.ncbi.nlm.nih.gov/pubmed/37621421 http://dx.doi.org/10.1039/d3sc02974c |
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