In this paper, we see the Data Centers (DCs) as producers of waste heat integrated with smart energy infrastructures, heat which can be re-used for nearby neighborhoods. We provide a model of the thermo-electric processes within DCs equipped with heat reuse technology, allowing them to adapt their thermal response profile to meet various levels of hot water demand. On top of the model, we have implemented computational fluid dynamics-based simulations to determine the cooling system operational parameters settings, which allow the heat to build up without endangering the servers’ safety operation as well as the distribution of the workload on the servers to avoid hot spots. This will allow for setting higher temperature set points for short periods of time and using pre-cooling and post-cooling as flexibility mechanisms for DC thermal profile adaptation. To reduce the computational time complexity, we have used neural networks, which are trained using the simulation results. Experiments have been conducted considering a small operational DC featuring a server room of 24 square meters and 60 servers organized in four racks. The results show the DCs’ potential to meet different levels of thermal energy demand by re-using their waste heat in nearby neighborhoods.