Rui Sun received his B.S. degree in Chemistry in 2009 from Shandong University in China. He received his Ph.D. in Chemistry from Texas Tech University in 2014, working with Dr. William L. Hase on studying gas phase reactions mechanism and solvent effect in condensed phase reaction with ab initio molecular dynamics simulation. He then worked as a postdoctoral scholar in the laboratory of Gregory A. Voth at the University of Chicago developing enhanced sampling methodology to assist biophysical simulations and biochemical reactions. During his postdoctoral appointment, Rui also collaborated with Eli Lilly and Company working on small molecule drug permeation with the support of its Scientific and Technical Advisory Board Award. Rui joined the faculty of the Department of Chemistry in August 2017.

The Interaction between Permeation Enhancers and Lipid Bilayers
C Kang, M Bernaldez, S Stamatis, J Rose, R Sun,* Journal of Physical Chemistry B, in press (PDF)
The Impact of the Unstirred Water Layer on the Permeation of Small Molecule Drugs
C Kang, A Shoji, C Chipot, R Sun,* Journal of Chemical Information and Modeling, in press (PDF)
Hypergolic Ionic Liquids: To Be or Not to Be?
S Biswas, K Fujioka, I Antonov, G Rizzo, S Chambreau, S Schneider, R Sun,* R Kaiser,* Chemical Science, 15, 1480 (2024) (PDF)
2023
Ultraviolet-Initiated Decomposition of Solid 1,1-Diamino-2,2-Dinitroethylene (FOX-7)
A Turner, J Marks, J Lechner, T Klapotke, R Sun, K Ralf,* Journal of Physical Chemistry A, 127, 7707 (2023) (PDF)
Ab Initio Molecular Dynamics Benchmarking Study of Machine-Learned Potential Energy Surfaces for the HBr+ + HCl Reaction
K Fujioka, E Lam, B Loi, R Sun,* Carbon Trends, 11, 100257 (2023) (PDF)
Unraveling the Initial Steps of the Ignition Chemistry of the Hypergolic Ionic Liquid 1-ethyl-3-methylimidazolium Cyanoborohydride ([EMIM][CBH]) with Nitric Acid (HNO3) Exploiting Chirped Pulse Triggered Droplet Merging
S Biswas, I Antonov, K Fujioka, G Rizzo, S Chambreau, S Schneider, R Sun,* R Kaiser,* Physical Chemistry Chemical Physics, 25, 6602 (2023) (PDF)

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