My research interests focus on designing and developing advanced structural/functional materials on the basis of computational materials science. There are mainly two thrusts in my future research. One is to apply the classical multiscale modeling methods, such as molecular dynamics (MD), Kinetic Monte Carlo (KMC) simulations and density functional theory (DFT), to interpret experimental findings. The other is to develop fundamental algorithms to resolve the spatial-temporal issues in multiscale modeling. The topics include stress and deformation, phase transformation, nucleation of crystalline/amorphous phases, and fatigue.