About Bahareh
I was born in Tehran - Iran. I am a theoretical and
(computational) chemist with a particular interest in Ab initio
study on electronic structures. So, I am interested in molecules
and their shapes, properties and vibrational modes of various
molecular systems. I do my research in Interdisciplinary Science
and Research Center as a PhD candidate in the field of
computational chemistry. My major interest is about Molecular
Modeling of bimolecular structures via Quantum mechanical
calculation of the NQR (Nuclear Quadrupole Resonance) and NMR
(Nuclear Magnetic Resonance) parameters and other physico -
chemical properties using computational software to search for a
correlation between electronic structure and biological activity
of certain compounds, mainly drugs. In other words my attempts
have been made in Quantitative structure - Activity
Relationships (QSAR) which is quite very suitable for
computer-aided drug design. As this work progressed, I developed
an interest in computing physico - chemical properties in
different solvent media which lead me to electronic structures
of compounds.
Though trained as a researcher, I define myself primarily as a
project manager and I am eager to engage myself in team working
research activities. At Interdisciplinary Science Research
Center, where I am completing my PhD program, I manage theses
for masters and doctoral students. Also, I have collaboration
with the Department of Science, Mathematics and technology
education, Research Institution for Curriculum Development &
Educational Innovations I am a project manager of the research
entitled “Designing and Accrediting an ICT- based Effective
Model for Learning and Teaching of Chemistry in High Schools”.