The article deals with the current state of energy consumption and CO2 emissions in the urban area of building clusters. There are many requirements, such as those set by the EU (FIT 55, decarbonisation in 2050, full electromobility in 2035, or mandatory annual reductions in energy consumption and CO2 production) or societal requirements, such as stable energy supply and its optimisation while significantly reducing CO2 emissions. This inspired us to design an energy model of a building (EMB) with smart grid implementation in a decentralized sustainable energy system. Simulation model studies were carried out to show the possibility of their application in the process of fully satisfying energy needs in terms of reducing their environmental impact. A decentralized photovoltaic system (microgrid) connected to a distribution grid. The main objective is to propose an original methodology for the design of smart "Nearly Zero Energy Buildings" (NZEB) and a subsequent solution for energy sustainability. This has led us to use HOMER, PV*SOL, Monte Carlo and DesignBuilder software which were chosen from the range of options that were and are available. Subsequently, a synthesis of the selected software solutions was carried out and a new model - the "Energy Model of a Building" (EMB) - was proposed in the process of integration with the energy performance of buildings, as an original optimization basis for designing smart buildings and smart areas, and even cities. The proposed EMB has been verified and evaluated within the experiment.