University of Tennessee
Computational Materials Research Group

Molecular Simulation Structures
of Materials for Sustainable Energy

created and maintained by:
Prof. David J. Keffer
Department of Materials Science & Engineering
University of Tennessee, Knoxville

These animations and interactive structures are created from various molecular dynamics simulations and quantum calculations.   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. In order to view the movie files (in avi format), you will require the following codec: TSCC codec. This work has been supported by DOE BES, AFOSR, NSF, ACS PRF & ORAU HPC.
Carbon Nanocrystallites and Composite Materials
Metal and Metal Oxide Nanoparticles
Metal Decorated Amorphous Silsesquioxane Matrices
Perfluorosulfonic Acid (PFSA) Proton Exchange Membranes and Electrode/Electrolyte Interfaces for Hydrogen-based Fuel Cells
polycyclohexadiene (PCHD) Proton Exchange Membranes
proton transport
Smart Nanoporous Adsorbents for Hydrogen Storage
porphyrin-based nanoporous metal organic frameworks (MOFs)
Contact:  email
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