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
- 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
- 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
- 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.