Code Development

Modern computational capability has revolutionized many physical sciences. I routinely adopt, modify, and implement computation algorithm in my research work. Many first-principles methods for electronic structure calculations (plane-wave DFT, SIESTA, PWSCF) are employed. For example, I was involved in the development of a plane-wave basis, spin-polarized GW method during 1998-2000. By extending this many-body Green's function approach to treat spin-polarized systems, I was able to calculate quasiparticle band-structures of magnetic systems [5,1].

I also have experiences with molecular dynamics simulation packages (AMBER, CHARMM, CPMD) and tight-binding methods. I have strong interest in developing large-scale scientific computation programs.