In this thesis, wall-resolved and wall-modeled large-eddy simulation (LES) have been employed to investigate turbulent flow and dispersion around a single and a group of wall-mounted bluff bodies which are partially and fully submerged in developing boundary layers, respectively. The dispersion is caused by a continuous release of a passive scalar from a ground-level point source located within the matrix of obstacles. The results have been validated through comparisons against the available experimental measurement data. Thorough physical analysis including investigation of the spatial evolution and temporal cascades of the kinetic and scalar energies, flow structures and their influences on dispersion of the concentration plume in the context of highly disturbed flows, and study of turbulence statistics for the flow and concentration fields have been performed to provide deeper insights into turbulent flow and dispersion in domains with complex geometries. An in-house code based on FORTRAN programming language, parallelized with MPI libraries has been developed, modified and optimized for conducting the simulations. The simulations have been conducted on public-domain supercomputers ofWest-Grid, specifically Orcinus and Grex, and also the local 256-core cluster system of the CFD LAB at the University of Manitoba.