Physical and Computational Chemistry

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.


Zahra Jamshidi
Associate Professor

Rohoullah Firouzi
Assistant Professor

Zainab Moosavi
Assistant Professor

Saeed Amini Komijani
Assistant Professor

Sholeh Hamzehzadeh
Assistant Professor

Hani Sayahi
Assistant Professor




طراحی پرتال (طراحی پورتال) : آرانا نتورکPortal Design : Arana Network