Research in our group is highly relevant to the experiments and goals of our laboratory.
　　(1) Theoretical and computational study of nanotoxicology
　　(2) Computer-aided design and mechanism study of nanomedicine
　　(3) Theoretical study of the chemistry and functionalization of nanomaterials
　　So far, our efforts are focused on the chemistry and toxicology of carbon nanomaterials, including fullerene (endohedral metallofullerene), carbon nanotube and graphene. Both first-principles electronic structure theory and empirical force field are used in our computation.