Achieving climate neutrality requires reducing energy consumption and CO2 emissions in the building sector, which has prompted increasing attention towards nearly zero energy, zero energy, and positive energy communities of buildings; there is a need to determine how individual buildings up to communities of buildings can become more energy efficient. This study addresses the scientific problem of optimizing energy efficiency strategies in building areas and identifies gaps in existing theories related to passive design strategies, active energy systems, and renewable energy integration. This study delineates boundaries at the building and community scales to examine the challenges of attaining energy efficiency goals and to emphasize the intricate processes of selecting, integrating, and optimizing energy systems in buildings. The four boundaries describe: (B1) energy flows through the building envelope; (B2) energy flows through heating, ventilation, air conditioning and energy systems; (B3) energy flows through individual buildings; (B4) energy flows through a community of buildings. Current theories often treat these elements in isolation, and significant gaps exist in interdisciplinary integration, scalable frameworks, and the consideration of behavioral and socioeconomic factors. Achieving nearly zero energy, zero energy, and positive energy communities requires seamless integration of renewable energy sources, energy storage systems, and energy management systems. The proposed boundaries B1–B4 can help not only in analyzing the various challenges for achieving high energy efficiency in building communities but also in defining and evaluating these communities and establishing fair methods for energy distribution within them. The results demonstrate that these boundaries provide a comprehensive framework for energy-efficient designs, constructions, and operational practices across multiple buildings, ensuring equitable energy distribution and optimized performance. In addition, the definition of boundaries as B1-B4 contributes to providing an interface for energy-efficient designs, constructions and operational practices across multiple buildings.