This study was to investigate the relationship between metacognition and the mathematical modeling skills of high school students, as well as the mediating role of computational thinking. A cluster sampling method was adopted to investigate 661 high school students, using the metacognition scale, computational thinking scale, and mathematical modeling skill test questions. The results showed that metacognitive knowledge and metacognitive monitoring had a direct and positive correlation with high school students' mathematical modeling skills. Additionally, the critical thinking dimension of computational thinking mediated the relationship between metacognitive knowledge, experience, monitoring, and mathematical modeling skills. These findings indicated that sufficient metacognition could improve the critical thinking of high school students' computational thinking and enhance their mathematical modeling skills.