John W. Mintmire Professor Department of Physics Oklahoma State University B.S., Physics, University of Florida (1976) Ph.D., Physics, University of Florida (1980) Email: john.mintmire@okstate.edu Office phone: 405-744-5811 Lab phone: 405-744-2825 Fax: 405-744-6811 Computational Materials Physics Group Web Page

Spring 2007 PHYS 5663 home page
(Solid State Physics)

Computational Materials Physics

Computational Materials Physics combines physics, computer science, and applied mathematics to provide scientific solutions to realistic and often complex problems involving materials.

Our strategy is to develop and apply state-of-the-art theoretical and computational methods in conjunction with the best available computing resources to attack challenging problems involving novel nanostructured materials such as carbon nanotubes, inorganic nanowires, etc.

Representative Publications

• "Fundamental Properties of Single-Wall Carbon Nanotubes," C. T. White and J.W. Mintmire, J. Phys. Chem. B 109, 52-65 (2005)
• "Molecular Dynamics Simulations of the Oxidation of Aluminum Nanoparticles', S. Alavi, J. W. Mintmire, and D. L. Thompson, J. Phys. Chem. B 109, 209-214 (2005).
• "Reactive Bond-Order Simulations Using Both Spatial and Temporal Approaches to Parallelism", S. J. Stuart, Y. Li, O. Kum, J. W. Mintmire and A. F. Voter, Structural Chemistry 15, 483-491 (2004).
• "Stability and Electronic Structure of Phosphorus Nanotubes," I. Cabria and J. W. Mintmire, Europhys. Lett. 65, 82 (2004).
• "Metallic and Semiconducting Narrow Carbon Nanotubes," I. Cabria, J.W. Mintmire, and C.T. White, Phys. Rev. B 67, R121406 (2003).
• "Universal Density of States for Carbon Nanotubes," J. W. Mintmire and C. T. White, Phys. Rev. Lett. 81, 2506 (1998).
• "Density of States Reflects Diameter in Nanotubes," C. T. White and J. W. Mintmire, Nature 394, 29 (1998).
• "Electrostatic Potentials for Metal Oxide Surfaces and Interfaces," F. H. Streitz and J.W. Mintmire, Phys. Rev. B 50 , 11996 (1994).
• "Are Fullerene Tubules Metallic?" J. W. Mintmire, B. I. Dunlap, and C. T. White, Phys. Rev. Lett. 68, 631 (1992).

Web page updated on January 10, 2007 by J. W. Mintmire
Department of Physics
Oklahoma State University