Abstract: With the aim of supporting Chinese-style modernization, an integrated theoretical analysis framework of “Capability-Structure-Mechanism” was constructed from a strategic and holistic perspective, incorporating the theories of competency, configuration, and human capital. By comprehensively applying methods such as Analytic Hierarchy Process (AHP), Decision Making Trial and Evaluation Laboratory (DEMATEL), and Interpretive Structural Modeling (ISM), a systematic and exploratory research on the influencing factors and indicator system of the national strategic science and technology talent force system was conducted. The research findings reveal that foundational scientific achievements, talent allocation in key technological areas, talent attraction, and talent cultivation are the most critical factors influencing the construction of national strategic science and technology talent force. Based on these findings, four-dimensional optimization suggestions are proposed, including deepening long-term strategic considerations, targeted enhancement of competency, rational planning of field layouts, and comprehensive design of development pathways. These suggestions aim to provide new insights for strengthening the national strategic science and technology talent force system.