Figure2
![Searching new cocrystal structures of CL-20 and HMX via evolutionary algorithm and machine learning potential](https://image.oaes.cc/9ffba502-424a-42b7-9f31-802ea151ef4c/jmi3037-2.jpg)
Figure 2. Schematic illustration of four-step iterative workflow combining USPEX and ReaxFF-nn for searching the appropriate cocrystal structures and training the MLP. USPEX: Universal Structure Predictor: Evolutionary Xtallography; ReaxFF-nn: reactive force field with neural networks; MLP: machine learning potential.