Improving the energy efficiency and sustainability in the urban sector plays a vital role in the energy transition. Hence, it is important to consider promising ways to design sustainable urban energy hubs linking neighborhoods into energy systems. Improving the efficiency and sustainability of urban energy infrastructure is a process with multiple steps. This chapter presents the workflow that is required to be followed in this process. A brief overview about the methods that can be used to consider urban climate, urban simulation and energy system design are presented in this chapter highlighting the crosslinks among these topics. Finally, the chapter presents the research gaps and promising areas to conduct future research.