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James P. Lewis


Condensed Matter Theory and Computation


The group studies properties in a variety of materials using computational methods of condensed matter. Research has been focused on simulations of various materials, including semi-conducting nanocrystals, peptide nanotubes, photocatalysts, and bio-molecular, DNA. Our goal is to see what sort of properties, electronic structures or otherwise, can be obtained from applying our simulational program FIREBALL to a variety of materials.

Our research interests cover a broad range of materials and phenomena, including:

  • Band structures and electronic properties of metal-oxide
  • Semiconductor, nanoparticles, and nanotubes
  • Electronic structures and properties of bio-molucars and bio-catalysts
  • Molecular-surface interaction
  • Energy exchange processes
  • Photo-catalysis reactions