<p>Bisphenol A epoxy resin (DGEBA) employed in power equipment suffers from critical drawbacks, including inadequate high-temperature resistance and poor resistance to mechanical deformation, which restricts its application in power equipment. This paper systematically investigates the regulation mechanism of the thermodynamic properties of composite materials by the doping amount of nanofillers, combining molecular dynamics simulation with thermodynamic experiments. Zinc 2-methylimidazolate framework-8 (ZIF-8), endowed with a distinctive nanostructure and exceptional thermodynamic properties, is recognized as an ideal nanomodifier for enhancing the performance of epoxy resins. Nevertheless, the regulatory effect of its doping content on the thermodynamic properties of the resultant composites and the underlying microscopic mechanism remain unclear, lacking systematic theoretical and experimental validation. In this paper, the macroscopic properties and microstructures of epoxy resin composites with varying ZIF-8 contents were simulated and analyzed using Materials Studio (MS) software. The regulatory effects of ZIF-8 on the thermodynamic properties of the composites were summarized, and the underlying mechanism was elucidated from the perspective of system architecture. Finally, the simulation results were validated through experimental investigations. Both simulation and experimental results indicate that the EP/ZIF-8 composite exhibits the optimal comprehensive thermodynamic performance at a ZIF-8 doping content of 3phr.</p>