The investigation of sulfonated and crosslinked Polycyclohexadiene (xsPCHD) through molecular dynamics and coarse-grained simulation in the Computational Materials Research Group at the University of Tennessee is an ongoing research effort. in the Chemical and Biomolecular Engineering Department, the team includes Dr. David Keffer and Qifei Wang (a Ph.D. student until 2011, then a post-doc).

The images on these pages were created by Qifei Wang. The JavaScript code JSMol is used to view and interact with these structures. Older browsers are directed to an archival version of the site, using the Chime plug-in. In 2014, Eleanor Leffler at the University of Tennessee updated these pages from Chime to JSMol.

• xsPCHD: melt, short chains
• isolated xsPCHD chain-atomistic description (xyz file)
  
• xsPCHD melt (all chains)-atomistic description (xyz file)
  
• xsPCHD melt (few chains)-atomistic description (xyz file)
  
• isolated xsPCHD chain-coarse-grained description (pdb file)
  
• xsPCHD melt (all chains)-coarse-grained description (pdb file)
  
• xsPCHD melt (few chains)-coarse-grained description (pdb file)
  

• xsPCHD: melt, long chains
• isolated xsPCHD chain-coarse-grained description (pdb file)
  
• PCHD melt (all chains)-coarse-grained description (pdb file)
  
• PCHD melt (few chains)-coarse-grained description (pdb file)