My research fields are investigations of the mechanical and chemical properties of materials by applying theoretical and computational tools, including first-principles calculations, atomistic simulations, multiscale modeling, and how to apply machine learning to overcome the size/time scale limitations that widely exist in these computational studies. As shown in the following picture, a recent example of my research is to construct the physics-informed machine learning surrogate model to quickly predict material parameters related to their strength and ductility, otherwise, these parameters can only obtain from costly first-principles calculations and/or atomistic simulations.
