Bobby G. Sumpter
Email: sumpterbg@ornl.gov
Phone: 865-574-4973
Fax: 865-574-0680

ORNL Staff,
Computational Chemical Sciences Group,
Computer Science and Mathematics Division

Education, Professional Experience, Activities, and Honors: Bobby G. Sumpter received his Bachelor of Science in Chemistry from Southwestern Oklahoma State University (1983) with minors in Mathematics, Physics, Computer Science, and Geology. He received a Ph.D. in Physical Chemistry from Oklahoma State University in 1986. Following postdoctral studies in Chemical Physics at Cornell University 1987-1988 and in Polymer Chemistry at the University of Tennessee. Bobby joined the Chemistry Division at Oak Ridge National Laboratory in the Polymer Science group in 1992. He serves as an Advisory Committee Member on the International Journal of Smart Engineering System Design, is a continuing Co-organizer of the annual international meeting, Artificial Neural Networks in Engineering, Co-organized and Chaired the 1st DOE Workshop on Applications of Neural Networks in Materials Science (Feb 28-March 2, 1994), and Co-organized a symposium at the 1999 SERMACS meeting. Bobby has authored or co-authored over 200 publications in refereed journals. He is a member of the American Association for the Advancement of Science, American Chemical Society, American Physical Society, American Institute of Chemists, Sigma XI, International Neural Network Society, Materials Research Society. Bobby was part of a research team that received the ORNL-CASD Technical Achievement Award in 1996 and the Lockheed Martin Energy Research significant advent award 1999.

Interests and Expertise: Chemistry in nano-confined environments, nonlinear dynamics and quantum mechanics of large molecular systems; neural networks and machine learning; lasers and external interactions with molecular-based materials; solid, liquid and meso-phases of macromolecules; nano-scale science and technology; fluid dynamics; chemical sensorsanalysis and theory of polymeric and other types of nano-particles; normal mode analysis of large molecular based systems; nano-composites; quantum chemistry; biotechnology; molecular electronics; molecular pharmacology and neuroscience

A recent poster displayed at the first CNMS user meeting can be found here (pdf).

Selected Recent Publications:

1. V. Meunier, S. V. Kalinin, B. G. Sumpter, "Nonvolatile Memory Elements Based on the Intercalation of Organic Molecules Inside Carbon Nanotubes", Phys. Rev. Lett. 98, 056401 (2007). 
2. A. G. Souza Filho, V. Meunier, M. Terrones, B.G. Sumpter, E.B. Barros, F. Villapando-Paez, J. M. Filho, Y.A. Kim, H. Muramatsu, T. Hayashi, M. Endo, M. S. Dresselhaus, "Selective Tuning of the Electronic Properties of Coaxial Nanocables through Exohedral Doping", Nano Letters. 7, 2383 (2007).
3. B. G. Sumpter, V. Meunier, J. M. Romo-Herrera, E. Cruz-Silva, D.A. Cullen, H. Terrones, D. J. Smith, and M. Terrones, "Nitrogen-Mediated Carbon Nanotube Growth", ACS Nano (accepted 2007).
4. B. G. Sumpter, V. Meunier, R. Castellano, “Investigation of the Nanoscale Self-Assembly of Donar-σ-Acceptor Molecules”, Int. J. Quant. Chem. 107, 2233 (2007). 
5. D.E. Jiang, B.G. Sumpter, S. Dai,  “Unique chemical reactivity of a graphene nanoribbon's zigzag edge”. J. Chem. Phys. 126 (2007). 
6. Bobby G. Sumpter, Vincent Meunier, Edward F. Valeev, Andrew J. Lampkins, Hengfeng Li, and Ronald K. Castellano,“A New Class of Supramolecular Wires”, J. Phys. Chem. C. (accepted).
7. . Meunier, B.G. Sumpter, "Tuning the Conductance of Carbon Nanotubes with Encapsulated Molecules", Nanotechnology 18, 424032 (2007). 
8. M. Fuentes-Cabrera, V. Meunier, B. G. Sumpter, “Benzo-homologated nucleobases in a nanotube-electrodes setup for DNA sequencing”, Nanotechnology 18, 424019 (2007).
9. D.E. Jiang, B.G. Sumpter, S. Dai, “How do aryl groups attach to a graphene sheet?”, J. Phys. Chem. B 110(47) 23628 (2006).
10.  M. Fuentes-Cabrera, B.G. Sumpter, J.E. Sponer, J. Sponer, L. Petit, J.C. Wells,  “Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA”. J. Phys. Chem. B 111, 870 (2007). 
11. M. Fuentes-Cabrera, X. Zhao; P.R.C.Kent, B.G. Sumpter, B. G., “Electronic Structure of xDNA” J. Phys. Chem. B.; 111(30); 9057 (2007). 
12. D.E. Jiang, B.G. Sumpter, S. Dai, ”First Principles Study of Magnetism in Nanographenes”, J. Chem. Phys. 127, 124703 (2007). 
13. M. L. Drummond, V. Meunier, B.G. Sumpter, "Structure and Stability of Small Boron and Boron Oxided Clusters", J. Phys. Chem. A. 111, 6539 (2007).
14.  M.L. Drummond, B.G. Sumpter, W.A. Shelton, J. Larese, “An electronic structure and inelastic neutron scattering investigation of surface-adsorbate and adsorbate-adsorbate interactions in multilayers of CH4 on MgO(100)”, J. Phys. Chem. C 111(2) 966 (2007). 
15. M. Drummond, B.G. Sumpter, “The Use of Drug Discovery Tools in Rational Organometallic Catalyst Design” Inor. Chem. in press (2007).
16. D.B. Beach, A.J. Rondinone, B.G. Sumpter, S.D. Labinov, R.K. Richards,  “Solid-state combustion of, metallic nanoparticles: New possibilities for an alternative energy carrier”, J. Energy Resources Technology-Transactions of the Asme 129, 29 (2007)