Microalgae offer substantial potential for reducing CO2 emissions associated with buildings across their entire lifecycle by improving energy efficiency and actively capturing CO2. Integrating microalgae photobioreactor (PBR) façades into building systems provides multiple benefits, including acting as an effective insulation system, offering shading, harnessing solar energy, and converting light into biomass. Various methods have been employed to simulate the thermal performance of microalgae PBR, aiming to evaluate their effectiveness in reducing heat transfer into buildings. These methods include the finite volume approach, self-developed Computational Fluid Dynamics (CFD) codes, and integral analytical models. These simulations are often supported by advanced software tools such as ANSYS, Design Builder, TRNSYS, COMSOL Multiphysics, EnergyPlus, as well as plugins like Ladybug and Honeybee, which assist in analyzing energy performance and thermal behavior. This work reviews the state-of-the-art knowledge of the simulation of thermal performance of microalgae PBRs. It highlights the potential of simulation methods such as CFD in improving energy efficiency, reducing building energy demand, and supporting sustainable architectural practices. Furthermore, current research gaps, including limited exploration of multi-scale modeling and cost-effective computational frameworks, are discussed.