“…Polymer nanocomposites (PNCs), formed by dispersing nanoparticles in a polymer matrix, have drawn substantial attention from both industry and academia in past decades. − Compared to traditional fillers, nanofillers, reducing the object size, significantly increase the interfacial area between fillers and polymer that efficiently modifies the matrix properties. As a result, adding a small amount of nanofillers into polymer can lead to a dramatic improvement in mechanical, thermal, electrical, and optical properties, while maintaining the low mass density and good processability inherent to the polymer. ,,, In addition, the incorporation of nanoparticles can also introduce new functionalities (e.g., conductivity) that are absent in the pristine polymer matrix, which further extends the utility of the constituted nanocomposites. Thus, designing PNCs offers a versatile strategy for preparing high-performance and cost-effective materials, which find broad applications in materials, energy storage, and biomedical fields. ,,, However, due to the complex nature of PNCs as multicomponent systems, the corresponding control parameter space is large.…”