Bilayer/Support Interactions Glass Transition Study

Computer simulations are often used to understand how microscopic properties of materials influence macroscopic behavior. We currently study the properties of polymer brushes, glasses, and the interactions of lipid bilayers with small molecules such as fluorescent probes, transmembrane proteins, and supporting surfaces. One goal of our research is to connect simulations of different length scales and relate the results to experimental data. We study both polymeric and biological systems at atomistic and mesoscale length and time scales.

Lipid/Small Molecule Interactions Mesoscale Lipid Simulations Polymer Brushes


The research in our group is supported by the US Department of Energy, Office of Science, the University of California Biotechnology Research and Education Program, the US Department of Agriculture, the NIRT program of the National Science Foundation, the NIH training grant in biomolecular technology at UC Davis as well as an endowment by Joe and Essie Smith.
We gratefully acknowledge allocations of computer time from the Texas Advanced Computing Center and the National Energy Research Scientific Computing Center.

News:
Our paper C. Xing, R. Faller: Interactions of Lipid Bilayers with Supports: A coarse-grained Molecular Simulation Study was selected for the Cover of J Phys Chem B

Qi Sun received an Honorable Mention in the 2008 Competition for the Zuhair A. Munir Award for Best Doctoral Dissertation in the College of Engineering.
Roland was named Joe & Essie Smith Endowed Chair 2007-2011. LINK to Announcement
Our article Simulations of glasses: multiscale modelling and density of states Monte-Carlo simulations, which appeared in
Volume 32 issue 3-4 of the Journal Molecular Simulation was one of the top 10 most accessed articles of the journal in 2006 LINK to Announcement