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David Keffer

April 16, 2010

David Keffer

David Keffer

David Keffer, a professor in the Department of Chemical and Biomolecular Engineering, was recently awarded a distinguished lectureship by the Fulbright Commission. He will spend 10 months in Seoul where he will study different perspectives on sustainability in Korean urban areas.

Keffer directs UT’s Sustainable Technology through Advanced Disciplinary Research (STAIR) program. STAIR is an interdisciplinary Ph.D. program in which students develop expertise in certain sustainable energy areas.

Keffer also established and leads the UT Computational Materials Research Group, which is researching the properties of nanostructured materials—i.e., materials with order on the length scale of one billionth of a meter. Using a variety of computational tools, the group studies polymers under flow, proton transport in fuel cells, lubricant design, reactive molecular dynamics, and other topics.

The research of David Keffer is featured in the Selected Works Author Gallery of Trace, UT’s digital showcase and archive.

Selected Publications

Wang, Q., Keffer, D.J., Petrovan, S., Thomas, J.B., 2010.  “Molecular Dynamics Simulation of Polyethylene Terephthalate Oligomers,” J. Phys. Chem. B. 114(2): 786–795.

Kim, J.M., Edwards, B.J., Keffer, D.J., Khomami, B., 2010. “Dynamics of individual molecules of linear polyethtylene liquids under shear: Atomistic simulation and comparison with a free-draining bead-rod chain,” J. Rheol. 54(2): 283-310.

Esai Selvan, M., Keffer, D.J., 2010. “Molecular-Level Modeling of the Structure and Proton Transport within the Membrane Electrode Assembly of Hydrogen Proton Exchange Membrane Fuel Cells,” in Modern Aspects of Electrochemistry. Number 46: Advances in Electrocatalysis, Eds. Balbuena, P. and Subramanian, V., Springer, New York. In press.

Xiong, R., Keffer, D.J., Fuentes-Cabrera, M.A., Nicholson, D.M., Michalkova, A., Petrova, T., Leszczynski, J., Odbadrakh, K., Doss, B.L., Lewis, J.P., 2010. “The Effect of Charge Distribution on RDX Adsorption in IRMOF-10,” Langmuir. In press.

Esai Selvan, M., Keffer, D.J., Cui, S., Paddison, S.J., 2010. “Proton Transport in Water Confined in Carbon Nanotubes: A Reactive Molecular Dynamics Study,” Molec. Sim. In press.

Nicholson, D.M.C., Barabash, R.I., Puzyrev, Y.S., Gao, C.Y., Keffer, D.J., Ice, G.E., “The Role of Chemical and Displacement Pair Correlation in the Determination of Higher Order Correlation,” 2009. In Diffuse Scattering and the Fundamental Properties of Materials. Eds. Barabash, R.I., Ice, G.E., Turchi, P.E.A., Momentum Press, New Jersey.

Kim, J.M., Edwards, B.J., Keffer, D.J., Khomami, B., 2009. “Single-chain dynamics of linear polyethylene liquids under shear flow,” Phys. Lett. A. 373(7): 769-772.

Fletcher, B.L., Fern, J.T., Rhodes, K., McKnight, T.E., Fowlkes, J.D., Retterer, S.T., Keffer, D.J., Simpson, M.L., Doktycz, M.J., 2009. “Effects of ultramicroelectrode dimensions on the electropolymerization of polypyrrole,” J. Appl. Phys. 105, article #124312.

Xiong, R., Fern, J.T., Keffer, D.J., Fuentes-Cabrera, M.A., Nicholson, D.M., 2009. “Molecular simulations of adsorption and diffusion of RDX in IRMOF-1,” Mol. Simul. 35(10-11): 910-919.

Jiang, B., Esai Selvan, M. , B., Keffer, D.J., Edwards, B.J., 2009. “A Reactive Molecular Dynamics Study of the Thermal Decompostion of Perfluorodimethyl Ether,” J. Phys. Chem. B. 113(42): 13670-13677.

Xiong, R., Empting, R.L., Morris, I.C., Keffer, D.J., 2009. “Self-Consistent Multiscale Modeling in the Presence of Inhomogeneous Fields,” Multiscale Modeling and Sim. 8(1): 193-203.

Visit the Quest Gallery at Trace, UT’s digital archive, to access publications of other Quest Scholars of the Week.