My research interests focus on computational and mechanistic studies of transition-metal-catalyzed C–H functionalization reactions. I employ density functional theory (DFT) in close combination with experimental investigations to elucidate catalytic cycles, identify key intermediates and transition states, and uncover the origins of regio-, chemo-, and stereoselectivity in metal-catalyzed transformations of unsaturated substrates. By integrating kinetic data, in situ spectroscopic analysis, and computational modeling, my goal is to develop predictive mechanistic frameworks that enable rational catalyst and reaction design for efficient and selective C–H activation.