Welcome to the Department of Physical & Computational Chemistry


We encourage you to read more about our research interest:

  • Theoretical and computational study of metal cluster.
  • Optical and plasmonic properties of metal clusters, vibrational spectroscopy, and surface enhanced resonance Raman properties of metal clusters.
  • Ionic liquids - a new type of ubiquitous compounds which have melting points less than l00 °C. The main interest is primarily focused on their thermophysical characterization, their solubility in aqueous solutions, and in particular, their potential use in ionic-liquid-based aqueous biphasic systems (IL-based ABS) for the extraction and purification of biomolecules.
  • The molecular-level mechanisms responsible for their aptitude to form ABS and to extract different biomolecules are of interest.
  • Biomimetic Chemistry along with Biophysical Chemistry approach, study on protein structure, enzyme kinetics, micelles functionalization and designing artificial enzymes based on biophysical interactions.
  • Studies on disordered proteins, amyloid aggregation, and ligand docking by using the molecular simulations techniques, statistical mechanics and the linear-scaling electronic structure methods.
  • Investigation of action mechanism of DNA enzymes. To this end their structural features in some substituted and mutated states are obtained by using molecular dynamics (MD) simulations.
  • Quantum mechanical calculations on the MD structures are employed in order to reach to some more reliable results.
  • Experimental research in solid state chemistry and materials science.
  • Development of novel nanomaterials (specific transition metal oxide and graphene/graphene oxide) and electrochemical processes for energy storage and conversion as well as environmental treatment.


Faculty Members