One of the fundamental challenges in sustainable architecture is reducing energy consumption in buildings. Southern walls play a key role in controlling heat transfer and solar radiation into buildings. This study aims to design optimal materials for southern walls and, using a descriptive-analytical research method, examines the effect of material layers in this type of wall on controlling heat transfer and energy consumption in buildings. In the following study, a southern wall sample with conventional materials was examined for heat transfer using Design Builder software, and once again, the heat transfer of a wall designed with new materials was evaluated. In the designed southern wall, for each layer, several material options have been selected according to thermal and physical criteria; then, using a deep learning model, the optimal combination of materials is determined from the various and pre-selected options by nonlinear examination of the criteria. The results show that the southern wall designed with the novel materials and deep learning has reduced the heat transfer rate from outside to inside by 51.80% and from inside to outside by 34.29% over a period of one year, in accordance with the weather conditions of all seasons of a hot climate, and this reduces the cooling and heating load of the interior space and improves energy consumption.