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Recent Publications 1

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Recent Publications 2

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:: Afshar ::

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Personal Homepage

Google scholar

Full name: Mahdi Afshar

Position: Assistant Professor

Phone: 98-21-77451500-10     Ex: 6479

Fax: 98-21-77240497

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:

  1. Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis

M Sargolzaei, E Soleimani, M Afshar

Letters in Organic Chemistry, 14, 120 (2017)

  1. Spin and orbital magnetism in XMg8 (X= Sc-Ni): a relativistic density functional theory study

M Afshar, MH Chegeni

Molecular Physics, 114, 3620 (2016)

  1. Electronic and magnetic properties of single 3d-transition metals adsorbed on anthracene: a relativistic density functional theory study

M Afshar, H Doosti, A Shokri, M Sargolzaei

Molecular Physics, 114, 2187 (2016)

  1. 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)

  1. 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)

  1. DNA Binding Mode and Affinity of Antitumor Drugs of 2-aroylbenzofuran-3-ols: Molecular Dynamics Simulation Study

M Sargolzaei, H Nikoofard, M Afshar

Pharmaceutical Chemistry Journal, 50, 137 (2016)

  1. Binding of 1-substituted carbazolyl-3, 4-dihydro-β-carbolines with DNA: Molecular dynamics simulation and MM-GBSA analysis

M Sargolzaei, M Afshar, MN Jorabchi

Molecular Biology, 50, 313 (2016)

  1. 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)

  1. Relativistic first-principles study on spin and orbital magnetism of mattagamite (CoTe2)

M Afshar, M Sargolzaei, AHA Kordbacheh

The Physics of Metals and Metallography, 116, 341 (2015)

  1. 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)

  1. RELATIVISTIC FIRST-PRINCIPLES STUDY ON SPIN AND ORBITAL MAGNETISM OF MATTAGAMITE (COTE 2)

A MAHDI, S MOHSEN, AHA KORDBACHEH

ФИЗИКА МЕТАЛЛОВ И МЕТАЛЛОВЕДЕНИЕ, 116, 361 (2015)

  1. The Effect of Solvent on Tautomerization of 4-bromo Substituted 1HPyrazoles: Density Functional Theory Study

M Sargolzaei, M Afshar

Letters in Organic Chemistry, 12, 344 (2015)

  1. First principles study on proton transfer between amino acid side chains of histidine and aspartic acid in β-structure

M Sargolzaei, M Afshar, MS Sadeghi, H Hamidian

Journal of Structural Chemistry, 55, 1627 (2014)

  1. 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)

  1. The effect of glutamic acid side chain on acidity constant of lysine in beta-sheet: A density functional theory study

M Sargolzaei, M Afshar, MS Sadeghi, M Kavee

Russian Journal of Physical Chemistry A, 88, 1248 (2014)

  1. Abnormal electronic transport in disordered four-terminal graphene nanodevice

AA Kordbacheh, A Jafari, M Afshar

Journal of Theoretical and Applied Physics, 7, 1 (2013)

  1. 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)

  1. Magnetic Properties of Single-Walled 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)

  1. 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)

  1. Application of cellular automata to sewer network optimization problems

MH Afshar, M Shahidi, M Rohani, M Sargolzaei

Scientia Iranica, 18, 304 (2011)

  1. Spin and orbital magnetism of a single 3 d transition-metal atom doped into icosahedral coinage-metal clusters X 12 (X= Cu, Ag, Au)

M Sargolzaei, N Lotfizadeh

Physical Review B, 83, 155404 (2011)

  1. 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)

  1. 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)

  1. 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)

  1. 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)

  1. 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)

  1. 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)

  1. Spin and orbital magnetism of FeBr2: a density functional theory study

M Sargolzaei, J Rusz

Journal of Physics: Condensed Matter, 20, 025217 (2007)

  1. 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)

  1. LSDA+ U versus LSDA: towards a better description of the magnetic nearest-neighbor exchange coupling in Co-and Mn-doped ZnO

T Chanier, M Sargolzaei, I Opahle, R Hayn, K Koepernik

Physical Review B, 73, 134418 (2006)

  1. Spin and orbital magnetism of Au3Co: Density functional calculations

M Sargolzaei, I Opahle, M Richter

physica status solidi (b), 243, 286 (2006)

  1. Nearest neighbor exchange in Co-and Mn-doped ZnO

T Chanier, M Sargolzaei, I Opahle, R Hayn, K Koepernik

arXiv preprint cond-mat/0511050

  1. Orbital polarization in the Kohn-Sham-Dirac theory

H Eschrig, M Sargolzaei, K Koepernik, M Richter

EPL (Europhysics Letters), 72, 611 (2005)

  1. 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)

  1. Coupling of intrinsic Josephson junctions and subgap structure in the current–voltage characteristics of high-Tc superconductors

YM Shukrinov, K Nasrulaev, M Sargolzaei, G Oya, A Irie

Superconductor Science and Technology, 15, 178 (2001)

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