In this study, we combined MATLAB with the rigorous electromagnetic field simulation software Computer Simulation Technology to perform a co-simulation method for inverse design of high-efficiency and broadband THz metasurface devices. In the proposed design method, genetic algorithm (GA) is embedded to realize automatic and inverse design. Aiming toward the different requirements of high-efficiency and broadband THz metasurface devices, different objective functions are set to optimize the design of different types of THz metasurface devices. Based on the rigorous electromagnetic simulation and genetic algorithm, the proposed design method can realize automatic and inverse design with high reliability, compared to the theoretical model based on catenary e-field theory. This study provides an important guiding role and an efficient method for designing and optimizing required metasurface devices with practical applied value.