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Full name: Mahdi Afshar
Position: Assistant Professor
Phone: 98217745150010 Ex: 6479
Fax: 982177240497
Email: afshar.arjmand AT gmail.com
Address: Iran University of Science & Technology, Tehran, Iran
University Degrees:
• Post Doctoral Fellow: Matterials Department, University of California at Santa Barbara, USA.
• Ph.D: Dresden University of Technology, Germany
• MSc. : Institute for Advanced Studies in Basic Sciences, Zanjan, Iran.
Current Research:
http://scholar.google.com/citations?user=qPb0NnUAAAAJ&hl=en&oi=ao
Journal Papers:
 Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the PaalKnorr Pyrrole Synthesis
M Sargolzaei, E Soleimani, M Afshar
Letters in Organic Chemistry, 14, 120 (2017)
 Spin and orbital magnetism in XMg8 (X= ScNi): a relativistic density functional theory study
M Afshar, MH Chegeni
Molecular Physics, 114, 3620 (2016)
 Electronic and magnetic properties of single 3dtransition metals adsorbed on anthracene: a relativistic density functional theory study
M Afshar, H Doosti, A Shokri, M Sargolzaei
Molecular Physics, 114, 2187 (2016)
 First principle study of magnetic and electronic properties of single X (X= Al, Si) atom added to small carbon clusters (C n X, n= 2–10)
M Afshar, SS Hoseini, M Sargolzaei
Russian Journal of Physical Chemistry A, 90, 1405 (2016)
 Analysis of cooperative effects between uniaxial and torsional strains in carbon nanotubes
Z Najafi, A Ahmadkhan Kordbacheh, M Afshar
Journal of Applied Physics, 119, 244303 (2016)
 DNA Binding Mode and Affinity of Antitumor Drugs of 2aroylbenzofuran3ols: Molecular Dynamics Simulation Study
M Sargolzaei, H Nikoofard, M Afshar
Pharmaceutical Chemistry Journal, 50, 137 (2016)
 Binding of 1substituted carbazolyl3, 4dihydroβcarbolines with DNA: Molecular dynamics simulation and MMGBSA analysis
M Sargolzaei, M Afshar, MN Jorabchi
Molecular Biology, 50, 313 (2016)
 Magnetic and structural properties of single 3d transition metals adsorbed on corannulene: A density functional theory study
M Afshar, A Shokri, A Darabi
Computational Materials Science, 112, 92 (2016)
 Relativistic firstprinciples study on spin and orbital magnetism of mattagamite (CoTe2)
M Afshar, M Sargolzaei, AHA Kordbacheh
The Physics of Metals and Metallography, 116, 341 (2015)
 Magnetic properties of cobalt single layer added on graphene: A density functional theory study
M Afshar, H Doosti
Modern Physics Letters B, 29, 1450262 (2015)
 RELATIVISTIC FIRSTPRINCIPLES STUDY ON SPIN AND ORBITAL MAGNETISM OF MATTAGAMITE (COTE 2)
A MAHDI, S MOHSEN, AHA KORDBACHEH
ФИЗИКА МЕТАЛЛОВ И МЕТАЛЛОВЕДЕНИЕ, 116, 361 (2015)
 The Effect of Solvent on Tautomerization of 4bromo Substituted 1HPyrazoles: Density Functional Theory Study
M Sargolzaei, M Afshar
Letters in Organic Chemistry, 12, 344 (2015)
 First principles study on proton transfer between amino acid side chains of histidine and aspartic acid in βstructure
M Sargolzaei, M Afshar, MS Sadeghi, H Hamidian
Journal of Structural Chemistry, 55, 1627 (2014)
 First principles study on structural and magnetic properties of small and pure carbon clusters (C n, n= 2–12)
M Afshar, M Babaei, AH Kordbacheh
Journal of Theoretical and Applied Physics, 8, 103 (2014)
 The effect of glutamic acid side chain on acidity constant of lysine in betasheet: A density functional theory study
M Sargolzaei, M Afshar, MS Sadeghi, M Kavee
Russian Journal of Physical Chemistry A, 88, 1248 (2014)
 Abnormal electronic transport in disordered fourterminal graphene nanodevice
AA Kordbacheh, A Jafari, M Afshar
Journal of Theoretical and Applied Physics, 7, 1 (2013)
 Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3): A relativistic density functional theory study
M Afshar, M Sargolzaei
AIP Advances, 3, 112122 (2013)
 Magnetic Properties of SingleWalled Carbon Nanotube Terminated by Si Atoms: A Density Functional Theory Study
M Sargolzaei, S Keshavarz, M Esmaeilzadeh
Journal of Computational and Theoretical Nanoscience, 10, 587 (2013)
 Magnetic properties of single 3d transition metals adsorbed on graphene and benzene: A density functional theory study
M Sargolzaei, F Gudarzi
Journal of Applied Physics, 110, 064303 (2011)
 Application of cellular automata to sewer network optimization problems
MH Afshar, M Shahidi, M Rohani, M Sargolzaei
Scientia Iranica, 18, 304 (2011)
 Spin and orbital magnetism of a single 3 d transitionmetal atom doped into icosahedral coinagemetal clusters X 12 (X= Cu, Ag, Au)
M Sargolzaei, N Lotfizadeh
Physical Review B, 83, 155404 (2011)
 First principles study on magnetic properties of Zn vacancies in ZnO doped with single chalcogen X (X= S, Se, and Te)
M Sargolzaei, N Lotfizadeh, R Hayn
Journal of Applied Physics, 109, 073705 (2011)
 First principles study on spin and orbital magnetism of 3d transition metal monatomicnanowires (Mn, Fe and Co)
M Sargolzaei, SS Ataee
Journal of Physics: Condensed Matter, 23, 125301 (2011)
 First principles study on spin and orbital magnetism in CuFeSb and CuCoSb alloys with C1 b structure
M Sargolzaei
Solid State Communications, 150, 1861 (2010)
 Magnetic properties of 3d transition metals adsorbed on benzene: a density functional theory study
M Sargolzaei, F Gudarzi
Journal of Physics: Conference Series, 248, 012046 (2010)
 Spin and orbital magnetism in 3d transition metal nanowires (Mn, Fe, and Co): a density functional theory study
M Sargolzaei, S Ataee
Journal of Physics: Conference Series, 248, 012053 (2010)
 Magnetic state around cation vacancies in II–VI semiconductors
T Chanier, I Opahle, M Sargolzaei, R Hayn, M Lannoo
Physical review letters, 100, 026405 (2008)
 Spin and orbital magnetism of FeBr2: a density functional theory study
M Sargolzaei, J Rusz
Journal of Physics: Condensed Matter, 20, 025217 (2007)
 Spin and orbital magnetism in full Heusler alloys: A density functional theory study of Co 2 Y Z (Y= Mn, Fe; Z= Al, Si, Ga, Ge)
M Sargolzaei, M Richter, K Koepernik, I Opahle, H Eschrig, I Chaplygin
Physical Review B, 74, 224410 (2006)
 LSDA+ U versus LSDA: towards a better description of the magnetic nearestneighbor exchange coupling in Coand Mndoped ZnO
T Chanier, M Sargolzaei, I Opahle, R Hayn, K Koepernik
Physical Review B, 73, 134418 (2006)
 Spin and orbital magnetism of Au3Co: Density functional calculations
M Sargolzaei, I Opahle, M Richter
physica status solidi (b), 243, 286 (2006)
 Nearest neighbor exchange in Coand Mndoped ZnO
T Chanier, M Sargolzaei, I Opahle, R Hayn, K Koepernik
arXiv preprint condmat/0511050
 Orbital polarization in the KohnShamDirac theory
H Eschrig, M Sargolzaei, K Koepernik, M Richter
EPL (Europhysics Letters), 72, 611 (2005)
 Magnetic properties of Co impurities in bulk Au: DFT calculations
M Sargolzaei, I Opahle, M Richter, K Koepernik, U Nitzsche, H Eschrig
Journal of magnetism and magnetic materials, 290, 364 (2005)
 Coupling of intrinsic Josephson junctions and subgap structure in the current–voltage characteristics of highTc superconductors
YM Shukrinov, K Nasrulaev, M Sargolzaei, G Oya, A Irie
Superconductor Science and Technology, 15, 178 (2001)
