To enhance the destructive capability of shaped charge warheads, molybdenum is employed as the liner material, and numerical simulations are utilized to analyze the formation and penetration process of the molybdenum rod jet into concrete. The study investigates the effects of structural parameters such as curvature radius R and liner thickness H on jet formation and penetration depth. By comparing the penetration ability of the jet formed by the conventional copper liner, we have identified optimal structural parameters for molybdenum liner that yield an improved rod jet shape: R = 55mm and H = 2.5mm. The findings indicate that molybdenum, as a liner material, can bolster the penetration power of shaped charge warheads. Specifically, molybdenum liners exhibit a longer jet length, larger jet diameter, and deeper penetration depth compared to copper liners, with a 7% increase in jet length, 24% increase in jet diameter, and 20.8% increase in penetration depth.