Marine configurations are subject to a variety of complex hydrodynamic phenomena affecting the overall performance of the vessel. The turbulent flow affects the hydrodynamic drag, propulsor performance and structural integrity, control-surface effectiveness, and acoustic signature of the marine vessel. Due to advances in massively parallel computers and numerical techniques, an unsteady numerical simulation methodology such as Large Eddy Simulation (LES) is well suited to study such complex turbulent flows whose Reynolds numbers (Re) are typically on the order of 10^6. LES also promises increased accuracy over RANS based methods in predicting unsteady phenomena such as cavitation and noise production. This dissertation develops the capability to enable LES of high Re flows in complex geometries (e.g. a marine vessel) on unstructured grids and provide physical insight into the turbulent flow. LES is performed to investigate the geometry induced separated flow past a marine propeller attached to a hull, in an off-design condition called crashback. LES shows good quantitative agreement with experiments and provides a physical mechanism to explain the increase in side-force on the propeller blades below an advance ratio of J=-0.7. Fundamental developments in the dynamic subgrid-scale model for LES are pursued to improve the LES predictions, especially for complex flows on unstructured grids. A dynamic procedure is proposed to estimate a Lagrangian time scale based on a surrogate correlation without any adjustable parameter. The proposed model is applied to turbulent channel, cylinder and marine propeller flows and predicts improved results over other model variants due to a physically consistent Lagrangian time scale. A wall model is proposed for application to LES of high Reynolds number wall-bounded flows. The wall model is formulated as the minimization of a generalized constraint in the dynamic model for LES and applied to LES of turbulent channel flow at various Reynolds numbers upto Re_tau=10000 and coarse grid resolutions to obtain significant improvement.