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Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning

Wen Qian Jing Huang Shi-tai Guo Bo-wen Duan Wei-yu Xie Jian Liu Chao-yang Zhang

含能材料前沿（英文）2024，Vol.5Issue(4)：283-292,10.

含能材料前沿（英文）2024，Vol.5Issue(4)：283-292,10.DOI:10.1016/j.enmf.2023.05.002

Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning

Wen Qian ¹Jing Huang ¹Shi-tai Guo ¹Bo-wen Duan ²Wei-yu Xie ¹Jian Liu ¹Chao-yang Zhang³

作者信息

1. Institute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,China
2. Institute of Computer Applications,China Academy of Engineering Physics,Mianyang,621999,China
3. Institute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,China||Beijing Computational Science Research Center,Beijing,100048,China
折叠

摘要

关键词

Energetic molecule/Molecular design/High-throughput computation/Machine learning/Detonation property

Key words

Energetic molecule/Molecular design/High-throughput computation/Machine learning/Detonation property

引用本文复制引用

Wen Qian,Jing Huang,Shi-tai Guo,Bo-wen Duan,Wei-yu Xie,Jian Liu,Chao-yang Zhang..Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning[J].含能材料前沿（英文）,2024,5(4):283-292,10.

基金项目

The study was supported by the Subject Fund from Institute of Chemical Materials(grant no.SXK-2021-01)and the Open Research Fund of CNMGE platform(grant no.CNMGE202101004). （grant no.SXK-2021-01）

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