By varying the manufacturing parameters involved in the mentioned steps, such as the weight percentage of carbon and PTFE loading, this can ultimately affect the properties of the GDL such as electronic and thermal conductivities, porosity and tortuosity. Which makes also this manufacturing process relevant for the optimization of the GDL performance. For many years, numerous studies based on experimental approaches have been conducted to gain insight into the electrochemical, physical and mechanical phenomena in LIB electrodes and PEMFC GDLs. The goal is to help understand the relationship between input factors and responses. However, designing experiments is a complex process due to the large number of input parameters and the intrinsic properties of materials involved, which hinders the quick optimization of the LIB electrodes and PEMFC GDLs manufacturing processes. Additionally, experimental outputs have limited resolution, and often it is difficult to characterize and track the microstructure formation process over time, thus limiting the way researchers can control and optimize experiments. To compensate the intrinsic experimental limitations, computer simulations arose as efficient complementary tools to assess LIB cell processes and GDL performance. Computational modeling allows to understand LIB cells process from a different perspective by resolving numerically the mathematical equation that describes the physical process taken under consideration.