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Enhanced calibration strategies and innovative engine combustion technologies are required to meet the new limits on exhaust gas emissions enforced in the field of marine propulsion and on-board energy production. The goal of the paper is to optimize the control parameters of a 4.2 dm3 unit displacement marine DI Diesel engine, in order to enhance the efficiency of the combustion system and reduce engine out emissions. The investigation is carried out by means of experimental tests and CFD simulations. For a better control of the testing conditions, the experimental activity is performed on a single cylinder prototype, while the engine test bench is specifically designed to simulate different levels of boosting. The numerical investigations are carried out using a set of different CFD tools: GT-Power for the engine cycle analysis, STAR-CD for the study of the in-cylinder flow, and a customized version of the KIVA-3V code for combustion.