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.