Identifying the determining factors of detonation properties for linear nitroaliphatics with high-throughput computation and machine learning
In this work, a high-throughput computation (HTC) and machine learning (ML) combined method was applied to identify the determining factors of the detonation velocity (vd) and detonation pressure (pd) of energetic molecules and screen potential high-energy molecules with acceptable stability in a hi...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2024-12-01
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| Series: | Energetic Materials Frontiers |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666647223000192 |
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