The use of thermal insulation materials to reduce the heating and cooling demand of the building in order to provide energy efficiency is the main solution. But there is a wide range of these products on the market and, therefore, the choice and application of these materials is a rather difficult task, since many factors must be taken into account, such as environmental safety, cost, durability, climatic conditions, application technology, etc. Basically, comfort microclimate systems are designed based on normative standards, where the thickness of the thermal insulation material is selected depending on the required heat transfer resistance. These values are calculated taking into account climate conditions, that is the duration of the heating period, as well as taking into account sanitary and hygienic requirements. This article discusses the thermal performance of building materials, and also provides a comparative analysis of the use of thermal insulation materials depending on climatic factors and on the system providing comfort microclimate. Based on the calculations by mathematical modeling and optimization, it is advisable to choose the thickness of the thermal insulation, taking into account the capital and operating costs of the comfort microclimate systems. Comparing the optimization data with the normative one, the energy efficiency of the building increases by 50-70% when applying the optimal thickness of the thermal insulation layer, and when the thermal insulation layer is increased, the thermal performance of the enclosing structures has improved by 30%, which contributes to energy saving.