The University of Tennessee
Computational Materials Research Group


Molecular Design of Lubricants
via a Joint NEMD and Experimental Synthesis and Characterization Project

The molecular design of lubricants through NonEquilibrium Molecular Dynamics (NEMD) in the Computational Materials Research Group at the University of Tennessee is an ongoing research effort, that is coupled to a coordinated experimental synthesis and characterization project. In the Chemical Engineering Department, the team has included Dr. David Keffer, Dr. Brian Edwards, Dr. Bangwu Jiang (a post-doc), Jared Fern (graduate student) and Febi Pangloli (an undergraduate researcher). In the Chemistry department, our collaborating synthesis team is led by Prof. Jamie Adcock, working with Dr. Nathan Crawford.

The images on these pages were created by Bangwu Jiang. The JavaScript code JSMol is used to view and interact with these structures. Therefore, a modern browser capable of running JavaScript is required. In 2014, Eleanor Leffler updated these pages from Chime to JSMol.


These pages also contain movies of the structures that can be viewed with your choice of avi player. These movies were created by a team of undergraduate researchers composed of Hannah Bailey, Matt Milazzo and Anne Wells.   In order to view the movie files (in avi format), you will require the following codec: TSCC codec.

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