Adjunct Associate Professor – Theoretical and Computational Chemistry

Research and/or Creative Works

Jianing is currently a faculty member at Purdue University and a former member of the UVM Department of Chemistry. Research in the Li group focuses on the innovation of and applications of multiscale modeling to understand complex chemical systems. We aim to elucidate the critical structure-mechanism-function relationships, and provide rational guide to help drug discovery and materials design.

Our current projects include the studies of peptide and protein assemblies, protein-sugar interactions, as well as organic, inorganic and hybrid materials, ranging from microscopic (~angstrom, ~nanosecond) to mesoscopic scales (~millimeter, ~millisecond).


Awards and Recognition

  • 2019 OpenEye Junior Faculty Award from American Chemical Society
  • 2017 Committee for Professional Opportunities for Women Travel Award from Biophysical Society
  • 2016 Top 10 Reviewers of Physical Chemistry Chemical Physics
  • 2013 Outstanding Young Researcher Award at the Computational Biophysics to Systems Biology Workshop


Areas of Expertise and/or Research

Theoretical and computational chemistry, multiscale modeling, protein structure and mechanism, computer-aided drug discovery, new material design


  • M.A., Columbia University, NY, NY, 2007
  • Ph.D., Columbia University, NY, NY, 2011
  • Postdoctoral Fellowship, The University of Chicago, Chicago, IL, 2011–2014


  • (802) 656-0251
Office Location:

Innovation Hall E348

  1. Li Group Webpage

Courses Taught

Chem 165 — Introductory Physical Chemistry (Fall 2017)

Chem 167 — Preparation for Physical Chemistry (Fall 2014, 2015, and Spring 2017)

Chem 260 — Advanced Physical Chemistry (Spring 2016, 2017)

Chem 160 — Quantum Chemistry (Fall 2014, 2015)

Chem 268 — Advanced Topics in Physical Chemistry: Computational Chemistry (Spring 2015, 2016)