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Multi-injector system is potential to improve thermal efficiency and NOx emission of diesel engine at the same time. In order to optimize the combustion and emission of Marine medium speed diesel engine, the engine combustion with a multi-injector system is simulated and analyzed by CFD software Converge. In this research, two injectors are installed at the side of the cylinder head while the central injector is maintained. Various injection directions of side injectors and injection strategies of multi-injector system are simulated to optimize the fuel spray and combustion. The analysis results show that the spray angle of the side injector plays a key role for effective thermal efficiency improvement, since complex spray jet-jet interaction and spray impingement may deteriorate the combustion if the arrangement of spray angle was not set properly. Once the fuel injection direction has been optimized, the fuel ratio of the three injectors is optimized and improved the effective thermal efficiency with lower NOx emission. The results show that the two side injectors could increase the fuel injection rate into the cylinder, leading to high brake power and consequently increased the thermal efficiency by 1.26% and decreased the NOx emission by 16% for the best optimization.