Prof. Yakobson’s┬áresearch interests are in the theory and modeling of structure, kinetics, and properties of materials derived from macroscopic and fundamental molecular interactions. He has done ground-breaking work on the physical properties of nanotubes, in particular their electro-mechanics, and recently with graphene and graphane.

Material systems

  • Carbon Nanotubes
  • Graphene & derivatives
  • Boron
  • Two-dimensional nanomaterials beyond graphene


  • Density functional theory
  • Molecular dynamics
  • Physical kinetics
  • Nanomechanics
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