Current architecture involves a series of computer tools aimed at assisting the designer. While Building Information Modeling (BIM) technology facilitates building design, Building Energy Models (BEMs) allow for predictions of energy use and comfort levels. These projections are based on calculations derived from the information contained in the model, such as materials, geometry, climatic conditions or HVAC equipment. Regarding materials, BEM tools such as EnergyPlus request thermo-optical properties as visible absorptance, solar absorptance, and emissivity, and thermo-physical properties as thermal conductivity, density, and specific heat. The quality of this information directly influences the accuracy of simulation results; however, it is sometimes difficult to find a catalogue with the specific materials for a given project. In this context, a more accurate materials database was developed based on direct sample measurements and focused on the thermo-optical characterization of façade materials. The database is being completed to include thermal, physical, and optical properties of commercial materials to conform a catalogue with the appropriate information to optimize the design of zero-emission buildings through artificial intelligence (AI) tools. Within these AI tools focused on architecture, there are evolutionary algorithms that have the ability to solve complex design problems, performing simulations with multiple variables in a short time. This study proposed optimizing the design of an apartment in Madrid in terms of energy consumption and thermal comfort, linking a thermo-optical properties database with different levels of thermal insulation of the façades. The NSGA2 evolutionary algorithm was used to perform the optimization processes. The results show the optimal relationship between the optical properties of the exterior finish of facades and their level of thermal insulation. The results help improve the selection of enclosure materials, while the methodology used can be adapted to increase precision in the design of other construction systems, with new objectives and variables.