The University of Tennessee
The Department of Chemical Engineering


The Computational Materials Research Group (CMRG)

Active Research Projects
  1. Rigorous, Hamiltonian-Based Algorithms for Molecular Simulation link to publications
  2. Polymer Physics from NEMD link to publications
  3. Rheological Modeling of Non-Newtonian Fluids link to publications
  4. Physical Property Generation from Quantum Computation and Molecular Simulation link to publications
  5. Transport Properties from Molecular Simulation link to publications
  6. Lubricant Development through NEMD link to publications
  7. Proton Transport at the Electrode/Electrolyte Interface of PEM Fuel Cells link to publications
  8. Adsorption and Diffusion in Nanoporous Materials link to publications
  9. Molecular Simulation in the Classroom link to publications





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