Research interests
The theoretical research of my group is focused on two main areas: quantum electronic transport theory and modeling in nanoelectronics, and materials physics of nanotechnology. A qualitative understanding of our research program can be seen from the publication list. Overall, our work are centered on innovating first principles theoretical and computational methods.
In nanoelectronics, we develop theoretical formalisms and associated computational tools to calculate quantum transport properties. In particular, we were the first to have successfully developed the first principles nonequilibrium quantum transport formalism where a density functional type self-consistent field theory (DFT) is carried out within the Keldysh nonequilibrium Green's function formalism (NEGF). Here is the original paper of NEGF-DFT.