We are interested in utilizing theoretical, computational and simulational approaches to investigate the physical-chemical properties of biomacromolecules and low-dimensional nanomaterials. At present, we focus on: conformation statistics and molecular recognition of Intrinsically Disordered Proteins (IDPs); carrier mobility and electron-phonon-photon interaction in two-dimensional nano-materials; and applications of machine learning in chemistry. Our representative works include: (1)...