Read More... - Molecular Simulation Lab of Azarbaijan Shahid

Dr. Sdaegh Afshari
Molecular simulation lab.
Azarbaijan shahid madani university
[email protected]
Education:
Ph.D., physical chemistry, computational Nanoelectronics
Azarbaijan shahid madani university. Tabriz, Iran
Thesis: The ‫‫‬‪Computational ‫‫‬‪and ‫‫‬‪Theoretical ‫‫‬‪Studies ‫‫‬‪of ‫‫‬‪the ‫‫‬‪
Electronic ‫‫‬‪and ‫‫‬‪Structural ‫‫‬‪Properties ‫‫‬‪and ‫‫‬‪Quantum ‫‫‬‪Transport ‫‫‬‪of ‫‫‬‪
Some ‫‫‬‪Nano ‫‫‬‪Systems ‫‫‬‪and ‫‫‬‪Molecular ‫‫‬‪Structures ‫‫‬‪Applicable ‫‫‬‪in ‫‫‬‪
Nanoelectronic
M.Sc., physical chemistry
urmia university. urmia, Iran
Thesis:Investigation ‫‫‬‪of ‫‫‬‪substituent ‫‫‬‪effect ‫‫‬‪on ‫‫‬‪Nuclear ‫‫‬‪
Quadrapole ‫‫‬‪resonance ‫‫‬‪(NQR) ‫‫‬‪parameters ‫‫‬‪of ‫‫‬‪1-phenyl-2-(phenylthio)ethanone ‫‫‬‪derivatives ‫‫‬‪using ‫‫‬‪Ab ‫‫‬‪initio ‫‫‬‪and ‫‫‬‪
DFT ‫‫‬‪calculation
B.Sc., pure chemistry
Payam Noor university, Tabriz, Iran.
Research interests:
Density Functional Theory-Non Equilibrium Green Function Method
Quantum Transport; Solid State; Nanoelectronics; Quantum Mechanic;
Coding and Scripting
Publications:
1- S. AFSHARI∗, A. HASSANZADEH, H. RAHEMI and R. A. TAHERI-NASAB, A THEORETICAL INVESTIGATION
OF SUBSTITUENT EFFECTS ON STRUCTURE AND NQR PARAMETERS OF PHENACYL PHENYL SULFIDE
DERIVATIVES, Journal of Theoretical and Computational Chemistry Vol. 9, No. 4 (2010) 745–756
2- Jaber Jahanbin Sardroodi *, Sadegh Afshari, Alireza Rastkar Ebrahimzadeh, Badie Ghavami and Mina Yaghoobi Notash,
Multi switching behavior of hydrogen passivated silicene as molecular junction: A DFT-NEGF approach, Journal of
Theoretical and Computational Chemistry Vol. 13, No. 6 (2014) 1450046 (11 pages)
3- J. Jahanbin Sardroodi*, S. Afshari, A. R. Rastkar Ebrahimzadeh, M. Abbasi, Theoretical computation of the quantum
transport of zigzag mono-layer Graphenes with various z-direction widths, International Journal of Nano Dimension 6(1):
105-109, Winter 2015.
4- A. Rastkar Ebrahimzadeh, M. Abbasi*, J. Jahanbin Sardroodi, S. Afshari, Density functional theory study of the
adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles, International Journal of Nano Dimension 6(1):
11-17, Winter 2015.
5- Alireza Rastkar; Jafar Azamat*; Jaber Jahanbin Sardroodi; Elnaz Mazaher; Sadegh Afshari, A First principles study of
interaction of water with Boron-Nitrogen doped adamantane nano block, Journal of Computational and Theoretical
Nanoscience, accepted 2014.

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