Polymer Physics from NEMD
The investigation of polymer physics through NonEquilibrium Molecular Dynamics (NEMD) in the Computational Materials Research Group at the University of Tennessee is an ongoing research effort. In the Chemical Engineering Department, the team has included Dr. David Keffer, Dr. Brian Edwards, Chunggi Baig (grad student and post-doc), Bangwu Jiang (a post-doc), Tudor Ionescu (a Ph.D. student) Jun Mo Kim (a Ph.D. student), and Joseph Rajkumar (an M.S. student). The structures for H-branched C178H358 were provided by Chunggi Baig based on work done as a post-doc in the research group of Vlasis Mavrantzas at the University of Patras in Greece.
Keffer, David; Baig, Chunggi; Kim, Jun Mo; and Computational Materials Research Group, "Polymer Physics from NEMD" (2010). Molecular Simulation Structures Data Set.