Education
- Postdoctoral Associate, Iowa State University
- Ph.D., University of Iowa
- B.Sc., Lanzhou University
Research Interests
- Quantum chemistry
- QM/MM methods
- Structural Biology
- Metalloprotein Redox Chemistry
- Histidine pKa
- Intermolecular Interaction
- Continuum Solvation Model
Selected Publications
- Hui Li, Nandun M. Thellamurege, Dejun Si “QuanPol: A QM/MM program for high-level electronic structure methods and polarizable force field”, mss in preparation (24 thousand lines of Fortran code released in GAMESS in Aug 2011)
- Dejun Si and Hui Li “Interaction of Aun (n = 1, 2, 4) with sulfur ligands” mss in preparation
- Nandun M. Thellamurege and Hui Li “Interaction of Zn, Ca, Mg ions with protein ligands”, mss in preparation