Welcome to Shubin Liu's Homepage

Last updated October 1, 2007

Since July 1, 2007, as Senior Computational Scientist, I have been in the Renaissance Computing Institute (RENCI) , whose mission is to catalyze for innovation through the Renaissance Approach and ubiquitous computing. Before then, from September 1, 2000 to June 30, 2007, it was ITS Research Computing and I was Computational Scientist at first, and then Senior Computational Scientist. My major resposibilites, for the whole UNC-CH campus, are to install and support computational chemistry software, to set up and support high-performance computing (HPC), and to undertake my own research in density functional theory and its applications. I shared the 2005 IT Awards for my fine service to the University. It's also my great honor to accept the Wiley-IJQC Young Investigator Award in March, 20006, in the 46th Sanibel Symposium held on St. Simons Island, GA.

I obtained my Ph.D. degree in September 1996 after less than three years of study in Department of Chemisty, University of North Carolina at Chapel Hill, North Carolina, USA. My research interests were density functional theory (DFT) and its applications in biological systems and molecular modeling. My advisor was Professor Robert G. Parr, a member of both the National Academy of Science and the American Academy of Arts and Sciences. After graduation, I worked half-time with Bob Parr to develop more tools for DFT , and half-time with Jan Hermans of Department of Biochemistry and Biophysics working on CDA modeling and Computational Structural Biology. During October 1998 and August 2000, I was working with Weitao Yang of Duke University on linear scaling implementation of density functional theory for very large systems, and a possible QM/MM extension. I was pleased that the DFT inventor, Walter Kohn, won Noble Prize in Chemistry in 1998, together with John A. Pople for his contribution in Computational Chemistry.

Native of Ningxiang County, Changsha City, Hunan Province, P.R.China, I obtained my BS from Department of Chemistry, Hunan Normal University and MS from Lanzhou University, Lanzhou, Gansu.

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