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Abstract The breakthrough of energy storage technology will enable energy distribution and adaptation across space‐time, which is revolutionary for the generation of energy. Optimizing the energy storage performance of polymer dielectrics remains challenging via the physical process of electrical breakdown in solid dielectrics is hard to be intuitively obtained. In this review article, the application of computational simulation technologies is summarized in energy‐storage polymer dielectrics and the effect of control variables and design structures on the material properties with an emphasis on dielectric breakdown and energy storage performance are highlighted. The prediction and evaluation of material properties by combining various data analysis methods are reviewed. Finally, the outlook and challenges are discussed based on their current developments. This article covers not only an overview of the state‐of‐the‐art advances of breakdown modeling in energy‐storage polymer dielectrics but also the prospects that provide a new knob to synthesize high energy‐storage polymer dielectrics via computational simulation and a new research paradigm.
Dong et al. (Fri,) studied this question.