Aim To research the computer optimization design in material formulation. Methods The professional software including experimental design, mathematical modeling and optimization of single and multiple purposes was developed and applied to the formulation design for the flame retardant ethylenepropylene-diene mischpolymer (EPDM) insulation composites. With the aid of equipartition design, the mathematical models were established based on the optimization of the four properties (limiting oxygen index, volume resistance, tensile strength and elongation). Results The models from limited experiments had good significance, and the modeling analysis conclusions were in good agreement with later experiments. The optimization formulation was practically excellent. Conclusion The software enables practically a comprehensive multi-purpose use of material formulation research.