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The current work is based on the computational design optimisation for a two-stroke, uniflow scavenging free piston engine prototype for use in series hybrid vehicles to reach high efficiency levels combined with low emissions. Here the performance goals have been attempted via Homogeneous Charge Compression Ignition (HCCI) Diesel combustion with increased levels of exhaust gas recirculation (EGR) and direct injection. For optimal mixture preparation and composition, a highly tuned gas exchange system is required and also adapted injection parameters are needed to induce heat release at around top dead center (TDC). A computational methodology has been developed based on iterations between zero-, one-dimensional and simplified Computational Fluid Dynamics (CFD) simulations to define the operating conditions and overall geometrical parameters which give the best engine performance.