William A.
Shelton P.O. Box 2008 MS6367 Oak RidgeTN37831-6367 Email: sheltonwajr@ornl.gov
Phone: 865-576-7932
Fax: 865-574-0680
Senior R&D Staff Member, Computational Chemical Sciences Group,
Computer Science and Mathematics Division
Education, Professional Experience, Activities, and Honors: Bill Shelton is Senior Research Staff Member at the
Oak Ridge National Laboratory (ORNL) with the Computational Chemical Sciences
Group in the Computer Science and Mathematics Division. He has over 70
publications in peer-reviewed journals in the areas of electronic structure and
quantum transport, alloy theory and surface science. His undergraduate (1983)
and Ph.D. (1989) were obtained from the University of Cincinnati. Following his
Ph.D. he was a National Academy of Sciences/National Research Post-doctoral
fellow at the Naval Research Laboratory.He joined the research staff in the computer science and mathematics
division in 1992.From 1998-2001
he was a group in leader in the computer science and mathematics division.In addition, Dr. Shelton has won
several high performance computing awards including 3 Gordon Bell Awards, a
Computerworld Smithsonian Award and 3 Supercomputing High Perfornance Computing
Challenge Awards.
Interests and Expertise: Theoretical and computational physics and
chemistry, first principles methods and high-performance computing.
Relevant Publications:
N. Shibata, S. J. Pennycook,
T.R. Gosnell, G.S. Painter, W.A. Shelton and P.F. Becher, “Observation
of rare-earth segregation in silicon nitride ceramics at subnanometre
dimensions”, Nature, 428,
730 (2004)
M. Buongiorno Nardell, N. M.,
W.A. Shelton, G.M. Stocks, F.J. Walker, M.F. Chisholm and R.A. McKee,”Structure
and electrodynamics at a crystalline oxide-semiconductor heterojunction:
dipole charges and the Coulomb Bufferin
the Si(001):SrSi2:SrO interface”, Trans. MRS-J, 29, 707 (2004)
G.S. Painter, P. F. Becher,
W.A. Shelton, R.L. Satet and M.J. Hoffmann, “First-principles study of rare-earth effects on grain
growth and microstructure of β-Si3N4
ceramics”, Phys. Rev. B, 70,
144108 (2004)
B.G. Sumpter, M. D. Barnes,
W.A. Shelton, R.J. Harrison and D.W. Noid,” Development and Modeling of
a Novel Self-Assembly Process for Polymer and
Polymeric Composite Nanoparticles”,
Nanotechnology in Biology and Medicine, eds. T. Vo-Dinh, CRC Press (in
press)
F.J. Walker, M. B.
N., W.A. Shelton, G.M. Stocks and R.A. McKee,” Electrostatic
consequences of the interface phase for a crystalline oxide on Silicon”, 205th Meeting of The Electrochemical Society,
San Antonio, TX, The Electrochemical Society (in press)
R.A. McKee, F. J. Walker, M.
Buongiorno Nardell, W.A. Shelton and G.M. Stocks,” The interface phase
and the Schottky barrier for a crystalline dielectric on silicon”, Science, 300, 1726 (2003)
A. Canning, B. Ulfalussy,
T.C. Schulthess, X.-G. Zhang, W.A. Shelton, D.M.C. Nicholson, G.M. Stocks,
Y. Wang and T. Dirks, “Parallel Multi-teraflops Studies of the Magnetic
Structure of FeMn Alloys”, 17th
International Parallel and Distributed Processing Symposium, Nice, France,
Program Chair J. Dongarra, IEEE Computer Society (2003)
D.M.C. Nicholson and W. A.
Shelton, “Removed sphere method for Poisson's equation”, J. of Physics-Condensed Matter, 14, 5601
(2002)
G.M. Stocks, W.A. Shelton,
T.C. Schulthess, B. Ulfalussy, W.H. Butler and A. Canning,”On the
magnetic structure of γ-FeMn
alloys”, J. of Appl. Phys., 91,
7355 (2002)