Home Faculty and Research Peter T. Cummings
Peter T. Cummings PDF Print E-mail

John R. Hall Professor of Chemical Engineering and
Principal Scientist, Center for Nanophase Materials Sciences,
Oak Ridge National Laboratory

Education

B. Math. (First Class Honors) University of Newcastle (Australia), 1976

Ph.D., Math. University of Melbourne (Australia), 1980
 

Contact Information

Dept. of Chemical and Biomolecular Engineering
Vanderbilt University
VU Station B, Box 351604
Nashville, TN 37235-1604

Phone: (615) 322 8129
FAX: (615) 343-7951

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Research

  • Molecular Modeling of Fluids. We apply the techniques of molecular simulation and molecular theory to understand the properties of fluid systems, particularly aqueous systems, supercritical fluid mixtures and fluids with nanoscale structure (such as reversed micelles in supercritical fluids and polyelectrolytes).

  • Computational Nanoscience. We are interested in nanostructured systems, such as hybrid organic-inorganic nanocomposites, the nanoscale complexity found at metal oxide/aqueous solution interfaces, and nanoparticles formed from hydrothermal solution. In addition, we have interests in molecular electronics (electronic devices made from single molecules) and the effect of nanoscale confinement on the phase and structure of the confined fluid.
  • Molecular Rheology of Lubricants. Using several non-equilibrium molecular dynamics simulation methods, we study the rheology (particularly viscosity) of typical lubricants used in conventional (e.g., automotive) and unconventional (e.g., disk drive lubrication). Our goal is to develop tools which will enable lubricant designs to be tested computationally before deciding a lubricant is sufficiently superior to other that it is worth synthesizing it. We additionally study the effect of nanoscale confinement on lubricants.
  • Mathematical Modeling of Cancer Invasion. We are collaborating with researchers in the Cancer Biology department of the Vanderbilt Medical Center to develop cancer-cell-based mathematical models of cancer tumors, with a particular emphasis on the invasion process whereby cancer spreads to other parts of the human body.

Representative Recent Publications

(for a full listing, click here and follow the research link)

Leng, Y. S., and Cummings, P. T., “Hydration structure of water confined between mica surfaces,” Journal of Chemical Physics 124 (2006) Art. No. 074711.  Selected for publication in September 25, 2006 issue of Virtual Journal of Nanoscale Science & Technology.  
Anderson, A. R. A., Weaver, A. M., Cummings, P. T., and Quaranta, V., “Tumor Evolution by Microenvironment Selection,” Cell 127 (2006) 905–915.

Mamontov, E., Vlcek, L., Wesolowski, D. J., Cummings, P. T., Wang, W., Anovitz, L. M., Rosenqvist, J., Brown, C. M. and Sakai, V. G., "Dynamics and structure of hydration water on rutile and cassiterite nanopowders studied by quasielastic neutron scattering and molecular dynamics simulations," J. Phys. Chem. C 111 (2007)  4328-4341.

Pu, Q., Leng, Y. S., Tsetseris, L., Park, H. S., Pantelides, S. T. and Cummings, P. T., "Molecular dynamics simulations of stretched gold nanowires: The relative utility of different semi-empirical potentials," J. Chem. Phys. 126 (2007) Art. No. 144707.

Chan, E. R., Striolo, A., McCabe, C., Cummings, P. T., and Glotzer, S. C., “Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution,” J. Chem. Phys. 127 (2007) Art. No. 114102. Selected for publication in the October 1, 2007 issue of Virtual Journal of Nanoscale Science & Technology. Selected for publication in the October 1, 2007 issue of Virtual Journal of Biological Physics Research.

Zhao, X.-C., Payne, C. M., Cummings, P. T., and Lee, J. W., “Single-strand DNA molecule translocation through nanoelectrode gaps,” Nanotechnology 18 (2007) Art. No. 424018.

Payne, C. M., Zhao, X.-C., Vlcek, L., and Cummings, P. T., “Molecular Dynamics Simulation of ss-DNA Translocation between Copper Nanoelectrodes Incorporating Electrode Charge Dynamics,” Journal of Physical Chemistry B 112 (2008) 1712 -1717.

Dyer, P. J., Docherty, H., and Cummings, P. T., “The importance of polarizability in the modeling of solubility: Quantifying the effect of solute polarizability on the solubility of small nonpolar solutes in popular models of water,” Journal of Chemical Physics 129 Article No. 024508. Selected for publication in the July 15, 2008 issue of Virtual Journal of Biological Physics Research.

Koparde, V. N. and Cummings, P. T., “Phase Transformations during Sintering of Titania Nanoparticles,” ACS Nano 2 (2008) 1620-1624.

Jeon, J.; Alexander, N. R.; Weaver, A. M.; Cummings, P. T., “Protrusion of a Virtual Model Lamellipodium by Actin Polymerization: A Coarse-Grained Molecular Dynamics Simulation Study,” Journal of Statistical Physics, accepted for publication.

Selected Invited Conference Presentations

Cummings, P. T., “Computational and Theoretical Nanoscience - Emerging Tools for Nanoscience and Nanotechnology,” American Institute of Chemical Engineers 2007 Annual Meeting, Salt Lake City, UT, November 4-9, 2007

Cummings, P. T., “Applying the Tools of Theoretical and Computational Nanoscience,” Association of Molecular Modelers of Australasia, University of Melbourne, Melbourne, Australia, November 27-30, 2007

Cummings, P. T., “Computational and Theoretical Nanoscience: Emerging Tools for Nanoscience and Nanotechnology: Emerging Tools for Nanoscience and Nanotechnology,” Mathematical and Computational Nanoscience (MCN-07), Victoria University of  Wellington, Wellington, New Zealand, December 9-11, 2007

Cummings, P. T., “Multiscale/Many-Scale Modeling in Theoretical and Computational Nanoscience,” 5th Chemical Engineering Conference for Collaborative Research in Eastern Mediterranean Countries (EMCC5), Grand Hotel San Michele, Cetraro, ITALY, May 24-29, 2008

Cummings, P. T., “Molecular Modeling of Tribology and Structure of Nanoconfined Fluids ,” U.S.-Poland Workshop on Interfacial Phenomena and Advanced Materials, Gdansk, Poland, June 2-7, 2008

Cummings, P. T., “Multiscale/Many-Scale Modeling in Computational Nanoscience,” 20th International Conference on Chemical Thermodynamics (ICCT 2008), Hotel Gromada. Warsaw, Poland, August 3-8, 2008