Skip to main content

As a Senior Computational Scientist in the Research Computing Center and an 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.

The first book that I edited, “Conceptual Density Functional Theory”, was published in April 2022, and the second book, “Exploring Chemical Concepts through Theory and Computation“, was released in May 2024, both 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 AAA-7495-2020, social media Facebook, ORCID, Twitter, LinkedIn, ResearchGate, GooglScholar, ChemRxiv, Instagram, Reddit, MySpace, RenRen, and QQ Space, and memberships AAAS, ACS, and CCS.