Optimum packing of aggregate is an important aspect of mixture design, since porosity may be reduced and strength improved. It may also cause a reduction in paste content and is thus of economic relevance too. Several mathematic packing models have been developed in the literature for optimization of mixture design. However in this study, numerical simulation will be used as the main tool for this purpose. A basic, simple theoretical model is used for approximate assessment of mixture optimization. Calculation and simulation will start from a bimodal mixture that is based on the mono-sized packing experiences. Tri-modal and multi-sized particle packing will then be discussed to find the optimum mixture. This study will demonstrate that computer simulation is a good alternative for mixture design and optimization when appropriate particle shapes are selected. Although primarily focusing on aggregate, optimization of blends of Portland cement and mineral admixtures could basically be approached in a similar way.