Renewable energy generation is a development trend worldwide due to sustainability and environmental protection. High-voltage direct current (HVDC) transmission is indispensable in the renewable energy system due to its efficient power transmission capability and adaptability to complex grid structures. The DC vacuum circuit breaker (VCB) is essential for system control and fault protection. However, with the development of DC systems towards high voltage and large current, the ablation resistance of CuCr contact materials in VCBs has become the leading technical bottleneck. In order to enhance the ablation resistance of CuCr contact materials, this paper investigates a new molecular dynamics (MD) simulation model for arc ablation of CuCr contacts; therefore, it proposes a design method for contact materials measured by characteristic parameters of ablation resistance. Results are as follows: Firstly, the Cu particles cause a severe ablation on CuCr contacts with the effect of arcs. Subsequently, the model’s accuracy is verified by the influence of Cr content on ablation resistance. Furthermore, Mo and W metal elements were used to dope and strengthen the CuCr10 contact material, and CuCr8Mo2 and CuCr7Mo3 have an apparent improvement in resistance to arc ablation, which are alternatives for reinforced CuCr10 contact materials.