Reactive Molecular Dynamics
The development and use of Reactive Molecular Dynamics (RMD) simulation in the Computational Materials Research Group at the University of Tennessee is an ongoing research effort, funded by the Department of Energy and the Air Force Office of Scientific Research. In the Chemical Engineering Department, the team has included Dr. David Keffer, Dr. Brian Edwards, Dr. Bangwu Jiang (a post-doc), and Myvizhi Esai Selvan (graduate student).
The interactive structures on these pages were created by Myvizhi Esai Selvan from molecular dynsmics simulations. To view these images, you will require the free "Chime" Plug-in for your internet browser.
These pages also contain movies of the structures that can be viewed with your choice of avi/wmv player. These movies were created by Jun Mo Kim (graduate student). In order to view the movie files (in avi/wmv format), you will require the following codec: TSCC codec.
Keffer, David; Esai Selvan, Myvizhi; Kim, Jun Mo; and Computational Materials Research Group, "Reactive Molecular Dynamics" (2010). Molecular Simulation Structures Data Set.