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Systematic numerical simulations were performed for the improvement of fuel efficiency and thermal performance of a compact size passenger vehicle. Both aerodynamic and thermal aspects were considered concurrently. For the sake of systematic evaluation, our study was conducted employing various design changes in multiple steps: 1) analysis of the baseline design; 2) elimination of the engine room components; 3) modification of the engine room component layout; 4) modification of the aerodynamic components (such as under body cover and cooling ducts). The vehicle performance characteristics corresponding to different design options were analyzed in terms of aerodynamic coefficient, engine coolant temperature, and surface temperatures of thermally critical components such as battery and exhaust manifold. Finally optimal design modification solutions for better vehicle performance were proposed.