Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learningOA
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
Institute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Computer Applications,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,ChinaInstitute of Chemical Materials,China Academy of Engineering Physics,Mianyang,621999,China||Beijing Computational Science Research Center,Beijing,100048,China
Energetic moleculeMolecular designHigh-throughput computationMachine learningDetonation property
Energetic moleculeMolecular designHigh-throughput computationMachine learningDetonation property
《含能材料前沿（英文）》 2024 (4)
283-292,10
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).
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