To address rapid urbanization and increasing population of the world, intelligent urban planning is required to build conducive living conditions. Making sustainable cities and communities is one of the sustainable development goals of united nations by 2030. In this regard, resolving multiphysics in an indoor environment involving air quality, viral transmission of diseases like COVID-19 in confined spaces, thermal comfort, efficient Heating Ventilation and Air Conditioning (HVAC) system, usage of advanced materials in built environment, and external flows for urban morphology regarding pedestrian comfort, urban heat island effects etc., by numerical simulations are computationally challenging. Essentially, turbulent fluid flow, particle dynamics, heat and mass transfer are the fundamental mechanisms and complex coupled interactions govern the physics of these scenarios. The fundamental focus of this project work is on both indoor and external flows using massively parallel computational solvers. Large Eddy Simulations (LES), Detached Eddy Simulations (DES) and simulations based on two-equation turbulence models for Reynolds Averaged Navier-Stokes (RANS) equations can be performed together with the data-driven modelling, prediction, and analysis of such complex dynamics.