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

• Authors : Wen Qian; Jing Huang; Shi-tai Guo

Subjects: Energetic molecule; Molecular design; High-throughput computation

• Source: Energetic Materials Frontiers, Vol 5, Iss 4, Pp 283-292 (2024)

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Discovery of high energy and stable prismane derivatives by the high-throughput computation and machine learning combined strategy

• Authors : Shitai Guo; Jing Huang; Wen Qian

Subjects: Prismane derivatives; Energetic molecular design; High-throughput computation

• Source: FirePhysChem, Vol 4, Iss 1, Pp 55-62 (2024)

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High-throughput computation and machine learning modeling of magnetic moments and Mössbauer parameters for Fe-based intermetallics

• Authors : Zhao, Bo; Zhang, Hongbin;

• Source: Physical Review B ; volume 111, issue 22 ; ISSN 2469-9950 2469-9969

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High-throughput computation and machine learning screening of van der Waals heterostructures for Z-scheme photocatalysis

• Authors : Liu, Xiaoqing; Li, Yifan; Zhang, Xiuying ...

• Source: Journal of Materials Chemistry A ; volume 13, issue 8, page 5649-5660 ; ISSN 2050-7488 2050-7496

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High-Throughput Computation of Anharmonic Low-Frequency Protein Vibrations ...

• Authors : Sauer, Michael A.; Mondal, Souvik; Cano, Madeline

Subjects: Statistical Mechanics cond-mat.stat-mech; Computational Physics physics.comp-ph; FOS: Physical sciences

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High-Throughput Computation Evaluation of Metal–Organic Frameworks for Efficient Perfluorocarbons Recovery

• Authors : Jianbo Hu; Xian Suo; Lifeng Yang

Subjects: Biophysics; Medicine; Space Science

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Discovery of high energy and stable prismane derivatives by the high-throughput computation and machine learning combined strategy

• Authors : Guo, Shitai; Huang, Jing; Qian, Wen ...

• Source: FirePhysChem ; volume 4, issue 1, page 55-62 ; ISSN 2667-1344

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

• Authors : Qian, Wen; Huang, Jing; Guo, Shi-tai ...

• Source: Energetic Materials Frontiers ; volume 5, issue 4, page 283-292 ; ISSN 2666-6472

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High-throughput computation and machine learning of refractive index of polymers

• Authors : Ankit Mishra; Pankaj Rajak; Ayu Irie

Subjects: Machine Learning; Molecular Dynamics; Graph Neural Networks

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Research progress in high-entropy alloys driven by high throughput computation and machine learning

• Authors : ZHANG Cong; LIU Jie; XIE Shuyi

Subjects: high-entropy alloy; thermodynamic; first principles

• Source: Cailiao gongcheng, Vol 51, Iss 3, Pp 1-16 (2023)

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