Artificial Intelligence (AI) simulation models and digital twins (DT) are used in designingand treating the activities, layout, and functions for the new generation of buildings to enhanceuser experience and optimize building performance. These models use data about a building’s use,configuration, functions, and environment to simulate different design options and predict theireffects on house function efficiency, comfort, and safety. On the one hand, AI algorithms are usedto analyze this data and find patterns and trends that can guide the design process. On the otherhand, DTs are digital recreations of actual structures that can replicate building performance in realtime. These models would evaluate alternative design options, the performance of the building, andways to improve user comfort and building efficiency. This study examined the important role ofintelligent building design aspects, such as activities using multi-layout and the creation of particularfunctions based on AI simulation models, in developing DT-based smart building systems. Theempirical data came from a study of architecture and engineering firms throughout the globe usinga CSAQ (computer-administered, self-completed survey). For this purpose, the study employedstructural equation modeling (SEM) to examine the hypotheses and build the relationship model. Theresearch verifies the relevance of AI-based simulation models supporting the creation of intelligentbuilding design features (activities, layout, functionalities), enabling the construction of DT-basedsmart building systems. Furthermore, this study highlights the need for further exploration ofAI-based simulation models’ role and integration with DT in smart building design.