University of Tennessee
Computational Materials Research Group

Molecular Simulation Structures

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. Therefore, a modern browser capable of running JavaScript is required. Older browsers are directed to an archival version of the site, in which structures generated up through 2013 are available for viewing and interacting via the (no longer supported) 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.
sustainable energy systems polymers
nanoporous materials reactive molecular dynamics
surfaces and nanoparticles thermodynamic properties
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