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Recent investigations of advanced combustion have demonstrated that simultaneous low engine-out nitrogen oxides and particular matter emissions are possible, without a decrease in efficiency. So-named High Efficiency Clean Combustion (HECC) or Modulated Kinetics (MK) modes reduce NOx and PM due to low temperature combustion, including premixed combustion along with prolongation of the ignition delay. Theoretical research using powerful computational tools looks very promising because of the possibility of performing parametric analyses, incorporating simultaneous variation of an unlimited number of engine parameters. Relatively low temperatures in some zones of the diesel engine cylinder corresponding to the HECC regimes require application of chemical kinetics to the numerical simulation of this advanced mode of combustion because of low rates of the chemical reactions compared to the small residence time of the combustion products in the cylinder.