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Gasoline direct injection (GDI) allows flexible operation of spark ignition engines for reduced fuel consumption and low pollutants emissions. The choice of the best combination of the different parameters that affect the energy conversion process and the environmental impact of a given engine may either resort to experimental characterizations or to computational fluid dynamics (CFD). Under this perspective, present work is aimed at discussing the assessment of a CFD-optimization (CFD-O) procedure for the highest performance of a GDI engine operated lean under both single and double injection strategies realized during compression. An experimental characterization of a 4-stroke 4-cylinder optically accessible engine, working stratified lean under single injection, is first carried out to collect a set of data necessary for the validation of a properly developed 3D engine model.