Theoretical and Computational Chemistry and Materials Science

• Electronic structure methods and calculations on free molecules, molecules in confined space, molecules adsorbed on surfaces, clusters, and nano-hybrids, with emphasis on excited electronic states and processes
  Dr. Ioannis D. Petsalakis
• Computer-aided design of carbon-based nanomaterials and hybrid open framework structures
  Dr. Emmanouil (Emmanuel) Klontzas
• Theoretical Methods for the calculation of electronic, structural, vibrational and optical properties of materials
  Dr. Nektarios Lathiotakis
• Theoretical Inorganic and Organometallic Chemistry
  Dr. E. D. Simandiras
• Theoretical and Numerical Methods for Photonics, Optoelectronics and Metamaterials
  Dr. Odysseas Tsilipakos
• Molecular Simulations of Polymer-based and Bio-based Nanostructured Systems
  Dr. Anastassia Rissanou