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Hydrogen is seen as a promising energy carrier for a future mobility scenario. Applied as fuel in IC engines with internal mixture formation, hydrogen opens up new vistas for the layout of the combustion system. The 3D CFD simulation of internal mixture formation as well as combustion helps to understand the complex in-cylinder processes and provides a powerful tool to optimize the engine's working cycle. The performance of standard simulation models for mixture formation as well as the performance of a user-defined combustion model applied in a commercial CFD-code is discussed within this article. The 3D CFD simulations are validated with measurements obtained from a thermodynamic and from an optical research engine respectively.