Recent years have witnessed the explosive growth of interests in the health-related research from the computational modeling and data interrogation perspectives. In this talk, I would like to take the brain folding as an example to discuss the role of computational modeling in explaining the physical formation of complex brain structure. Via computational modeling and data analysis, we demonstrate that, in additional to biological cues, physical factors such as cortex stiffness, thickness, and growth speed may play crucial roles in brain gyral formation and functionality. Our findings may provide a plausible avenue to describe the relationships amongst cortical morphology, connection, and function, thereby offering clues towards novel diagnostics and treatments of neurological disorders.