As Senior Computational Scientist in the Research Computing Center and Adjunct Professor in the Department of Chemistry, University of North Carolina at Chapel Hill (UNC), I divide my time among research, computing and teaching. My interest is to develop density-based reactivity theory, as recently reviewed.
Since Jan 2026, I have been Editor-in-Chief of the International Journal of Quantum Chemistry, a flagship journal of theoretical and computational chemistry since 1967 founded by Per-Olov Löwdin. I edited two books, “Conceptual Density Functional Theory” (April 2022) and “Exploring Chemical Concepts through Theory and Computation” (May 2024), and authored one monograph “Density-based Reactivity Theory” (October 2026), all published by Wiley-VCH.
I obtained PhD in theoretical chemistry from the Department of Chemistry at UNC with the late Robert G. Parr as my adviser, and completed my postdoc training in computational chemistry with Weitao Yang of Duke University before returning to UNC as an independent researcher in 2000.
Native of Ningxiang, Hunan, I obtained B.Sc. from Department of Chemistry, Hunan Normal University and M.Sc. from Lanzhou University, Gansu, with my official coordinate, Chemistry Tree, ResearcherID B-1502-2009, social media Facebook, ORCID, Twitter, LinkedIn, ResearchGate, GooglScholar, ChemRxiv, Instagram, Reddit, MySpace, RenRen, and QQ Space, and memberships AAAS, ACS, and CCS.