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[Display omitted] • Ore deposits in the Gejiu superlarge tin polymetallic district, China, were studied. • The mineralization of chalcopyrite was simulated using the finite-element method. • The hydrothermal flow is one of the key factors affecting the mineralization. • The pore fluid flow is driven by the temperature gradient. • Favorable metallogenic areas are located at intersections between structural units. The Gejiu superlarge tin polymetallic mining area in Yunnan hosts the largest tin-copper polymetallic ore field worldwide. The output of tin and copper provides power for the development of the country. Therefore, the study of mineralization is very important. But the geological structure is diverse, and the mineralization of different geological structures is different. In this study, the geological characteristics, tectonics, mineralogy, and geochemistry of these typical magmatic hydrothermal deposits were analyzed, various geological structures are studied, and the finite-element method was used to simulate the mineralization of chalcopyrite in the study area. Finally, the results are validated against the instance area. The numerical results show that the hydrothermal flow is the main factor controlling the mineralization. The pore fluid flow is driven by the temperature gradient. Favorable metallogenic areas are located in faults, between horizontal strata, and at intersections of faults. In the future, by simulating the metallogenic region and studying the metallogenic structure, the locations of ore bodies can be predicted. Our research confirms the results of the coupled model in the field of emerging computational geoscience and provides insights into the mineralization process. [ABSTRACT FROM AUTHOR]