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This paper builds upon recent publication (SAE Technical Paper 2011-01-1388, 2011, doi:10.4271/2011-01-1388) and outlines the on-going development of an advanced simulator for virtual engine mapping and optimization of engine performance, combustion and emissions characteristics. The model is further advanced through development of new sub-models for turbulent mixing, multiple injection events, variable injection pressures, engine breathing and gas exchange, as well as particulates formation and oxidation. The result is a simulator which offers engine design and performance data typically associated with 1D thermodynamic engine cycle simulations but with the "physics-based" model robustness usually associated with 3D CFD methods. This combination then enables efficient optimization of engine design with respect to engine performance, combustion characteristics and exhaust gas emissions.