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Atomic and Molecular Physics Group

Atomic and Molecular Physics Group

Theoretical nanoscience and nanotechnology research at METU Physics Department is being carried out since 1988. Our works comprise several applications about atomic clusters, carbon nanotubes, hydrogen storage in nano materials, biological molecules, nano-gears and nano-magnetism.

Molecular Dynamics (MD) and density functional theory (DFT) are the main tools used in our studies. Other methods such as quantum Monte Carlo (QMC) and Genetic algorithms (GAs) are also being used and investigated.

Research Areas

  • Atomic and molecular clusters
  • Carbon nanotubes
  • Hydrogen storage in nanomaterials
  • Biological molecules
  • Nano-gears
  • Nano-magnetism
  • Low dimensional systems (0D, 1D, 2D)

Software Resources

  • Gaussian
  • PW-SCF
  • Crystal
  • HyperChem

Programs Developed by us:

  • Molecular Dynamics (MD) simulation programs
  • Monte Carlo (MC) simulation programs
  • Superlattice Program
  • Genetic Algorithm (GA) for cluster geometry optimization


  • Assistant Prof. Dr. Osman Barış Malcıoğlu
  • Assoc. Prof. Dr. Hande Toffoli

Graduate Students

  • Burak Özdamar (Physics)
  • Mehmet Emin Kılıç (Physics)
  • Sholeh Alaei (Physics)
  • Nadire Nayir (Physics)
  • Mustafa Kurban (Physics)
  • Nazan Kara (Physics)
  • Yusuf Şimsek (MNT)
  • Huseyin Yağlı (MNT)
  • Mehmet Yeşilyurt (MNT)