Figure7

Searching new cocrystal structures of CL-20 and HMX via evolutionary algorithm and machine learning potential

Figure 7. Relationship between hydrogen bond energy and density of predicted cocrystals. The hydrogen bond energy was calculated using the ReaxFF-nn potential. ReaxFF-nn: Reactive force field with neural networks.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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