The Abhishek Singh Group


    We are broadly interested in:
  • Quantum ab-initio theory for real materials
  • Physics and chemistry of hydrogen interactions with materials
  • Hydrogen generation and storage
  • Mechanical, structural, electronic, and magnetic, properties of nanostructures including graphene, nanowires, nanotubes and nanoclusters
  • Theory of defects, impurities, doping and diffusion in bulk and reduced dimensional systems
  • Theory of surfaces, interfaces, and edges in nanomaterials
  • Thermal and electrical transport
  • quasiparticle and optical excitations