Shanghai Supercomputer Center

Research in our group aims to understand the electronic structure of functional materials under various non-equilibrium conditions, such as light irradiation and bias voltage, through computer simulations. We are particularly interested in developing time-dependent optical theories for the modeling of photon-electron interaction, the fundamental dr... iving force for numerous solar energy applications, including solar cells, water splitting and carbon capture. Another line of our research focuses on the systematic design of photoconductive molecular electronics, a promising single-electron-transport device that may potentially extend Moores law for the era of quantum computing. A hybrid DFT/FEM (density functional theory/finite element method) approach is being actively developed to automatically account for the polarization-corrected biased potential for a closed quantum system embedded in an open region of good conductor. As a computational chemistry group that enjoys preferential access to some of the worlds fastest supercomputers, we also devote a substantial amount of efforts to implement, optimize and deploy massively scalable quantum mechanics software on a wide range of modern computer architectures. Postdoc, Northwestern University Ph.D., University of Utah M.S., University of New Orleans B.S., University of Science and Technology of China Current Members: Edward Ko Dr. Justin E. Elenewski Jason Vargas Breona Jones Project: Spin separation Project: Quantum transport Project: Molecular Dynamics Project: Charge Transfer The Chen group currently has several immediate openings for highly motivated Ph.D. graduate students, who are interested in chemical theories and computer simulations, broadly defined. Previous research experience in numerical modeling of chemical and biological systems is prefered, but not required. The group members will gain the access to some of the world's fastest supercomputers to push the limits of scientific computing. We will also enjoy the stimulating and collegiate environment ...Read More