x

members

members

Faculty Members

Prof. Hadi Akbarzadeh

      

Professor

Head of the group

Email: akbarzad@iut.ac.ir

Phone: +98 31 33913711

Website: http://akbarzadeh.iut.ac.ir

Dr. Seyed Javad Hashemifar

      

Associate Professor

Email: hashemifar@iut.ac.ir

Phone: +98 31 3391 3732

Website: http://hashemifar.iut.ac.ir/

Dr. Mojtaba Alaei

      

Associate Professor

Email: m.alaei@iut.ac.ir

Phone: +98 31 33913704

Website: https://alaei.iut.ac.ir/

Dr. Ismaeil Abdolhosseini Sarsari

      

Assistant Professor

Email: abdolhosseini@iut.ac.ir

Phone: +98 31 33913753

Website: http://abdolhosseini.iut.ac.ir/

Post-Doc

Dr. Hojat Gholizadeh

      

Dr. Nafiseh Rezaei

      

Dr. Shekoufeh Khosravizadeh

      

Dr. Shirin Namjoo

      

Dr. Mehdi Tarighi

      

Dr. Esmaeil Taghizadeh

      

PhD Students

Monireh Masjedi

      

  • Research:

Will be announced

  • Method:

Will be announced

 

Email: monireh.masjedi@ph.iut.ac.ir

Jila Amini

      

  • Research:

Will be announced

  • Method:     

Will be announced

 

Email: jila.amini@ph.iut.ac.ir

Atefeh Aghaei

      

  • Research:

Point defects in semiconductors

  • Method:

Density functional theory

 

Email: atefeh.aghaei@ph.iut.ac.ir

Tahereh Malakoutikhah

      

  • Research:

Structural and electronic properties of fluorographene

  • Method:

Full potential linear augmented plane wave (FP-LAPW)

(Wien2k)

Email: t.malakoutikhah@ph.iut.ac.ir

Zahra Mosleh

      

  • Research:

Will be announced

  • Method:

Will be announced

 

Email: z.mosleh@ph.iut.ac.ir

Akram Abedi

      

  • Research:

Machine learning

 

 

 

Email: akram.abedi@ph.iut.ac.ir

Saeid Abedi

      

  • Research:

Artificial intelligence for semiconductor properties

  • Method:

Density functional theory, Machine learning

 

Email: saeid.abedi@ph.iut.ac.ir

Seyed Mohammad Hossein Modarresi

      

  • Research:

Single photon emitters

  • Method:

Density functional theory

 

Email:   m.modarresi@ph.iut.ac.ir

Samira Baninajarian

      

  • Research:

Artificial intelligence for semiconductor properties

  • Method:

Density functional theory, Machine learning

 

Email:   s.baninajarian@ph.iut.ac.ir

Nasrin Estaji

      

  • Research:

Will be announced

  • Method:

Will be announced

 

Email:   n.estaji@ph.iut.ac.ir

Visiting PhD Student

Tayebeh Sadat Hashemifar

      

  • Research:

Magnetic properties of double perovskite

  • Method:

Pseudo potential plane wave

  

Graduate Students

Elham Rahbari

      

  • Research:

First-principles study of MAX phases

  • Methods:

Kohn-Sham Density Functional Theory, Plane wave Pseudo Potential (Quantum-Espresso)

KKR Green function method (SPR-KKR)

Email: rahbarielham@ph.iut.ac.ir

Mohsen Sadeghpour

      

  • Research:

Effect of point defects in semiconductors

  • Method:

Density functional theory (Quantum-Espresso)

 

Email: mohsensdpj@ph.iut.ac.ir

Hassan Heidari

      

  • Research:

Pedestrian dynamics

  • Method:

Classical dynamics based on social forces

 

Email: hassanheidari@ph.iut.ac.ir

Hanieh Safari

      

  • Research:

First-principles study of the refractive index of semiconductors

  • Methods:

Density Functional Theory, Bethe-Salpeter approach (Exciting)

 

Shayan Rezvani

      

  • Research:

Machine learning

  • Method:

Will be announced

 

Email:  shayan@ph.iut.ac.ir

Raziyeh Maktoobian

      

  • Research:

Effect of point defects in semiconductors

  • Method:

Density functional theory

 

Email:   r.maktoubian@ph.iut.ac.ir

Mansoure Hashemi Hosseinabadi

      

  • Research:

Machine learning

  • Method:

Will be announced

 

Email:   m.hashemi@ph.iut.ac.ir

Zohreh Nourbakhsh

      

  • Research:

Topological materials

  • Method:

Density functional theory

 

Email:   za.nourbakhsh@ph.iut.ac.ir

Alumni

Hossein Karimi

      

  • Research:

Effect of extrinsic point defects on the electronic properties of SrS

  • Methods:

Full potential linear augmented plane wave (FP-LAPW), DFT-1/2

(Wien2k, Exciting)

Email: hkarimi@alumni.iut.ac.ir

Hamid Reza Nouri

      

  • Research:

Calculation of Biquadratic spin Interaction for some Transition Oxide (MnO, CrO) within DFT

  • Method:

Full potential linear augmented plane wave (Fleur)

Ali Shoosh

      

 

  • Research:

Calculation of Heisenberg and Biquadratic exchange interaction coefficients in NiO crystal

  • Method:

Full potential linear augmented plane wave + Hubbard correction

(Fleur)

Mohammad Reza Rasoulian

      

  • Research:

Development and optimization of Isfahan2.9 package, an interface program of Wien2k and Wannier90 packages

Elahe Shomali

      

  • Research:

Electronic, optical and vibrational properties of nano dye molecule N3

  • Method:

 Turbo-TDDFT, Nudged Elastic Band (NEB)

Akram Abedi

      

  • Research:

Machine learning

 

Seyed Mojtaba Rezaei Sani

      

  • Research:

Magnetic, lattice dynamics, and topology of electron charge density of some materials

  • Method:

Plane wave Pseudo Potential (Quantum-Espresso)

Full potential linear augmented plane wave (Wien2k)

Mojtaba Maani

      

  • Research:

Searching for stable nanoclusters of (MoO3)n

  • Method:

Semiempirical methods and Genetic algorithm

 

Reihaneh Mousaei

      

  • Research:

Machine learning

  • Method:

Density functional theory

Meysam Mohseni

      

  • Research:

Effect of point defects in semiconductors

  • Method:

Density functional theory

Mohammad Saghayezhian

      

  • Research:

Mechanical properties and topology of charge density of some materials

  • Method:

Pseudo potential plane wave (Quantum-Espresso)

Raziyeh Norouzi

      

  • Research:

Structural and optical properties of Dye/Tio2 systems

  • Method:

Density functional tight-binding (DFTB) method

Time-domain time-dependent density functional theory tight-binding (Time-domain TD-DFTB) method

(DFTB+ package)

Nima Ghafari

      

  • Research:

Will be announced

  • Method:

Will be announced

Leila Salimi

      

  • Research:

Study of structural and electronic properties of materials

  • Method:

Pseudo potential plane wave (Quantum-Espresso)

 

Saeid Jalali Asadabadi (Phd)

      

  • Research:

The valence of f-electron compounds from analysis of electron field gradients

  • Method:

Full potential linear augmented plane wave (Wien2k)

Elahe Teimoori

      

  • Research:

Calculation of Phonon, mechanical and thermal properties of materials

  • Method:

Plane wave pseudo potential, Density functional perturbation theory

(Quantum-Espresso)

Seyed Javad Hashemifar (Phd)

      

  • Research:

Surface Effects on the electronic, magnetic, and half-metallic properties of heusler alloys

Magnetic properties and hyperfine interactions in dilute alloys

  • Method:

Full potential linear augmented plane wave (FP-LAPW)

(Wien2k)

Zahra Torbatian

      

  • Research:

Study of Hall coefficient for cubic metals

  • Method:

Pseudo potential plane wave (Quantum-Espresso)

Maximally localized wannier functions (Wannier90)

Mojtaba Alaei (Phd)

      

  • Research:

Some faults in common approximation in density functional theory and some solutions for them

  • Methods:

Ab-initio simulations 

Full potential linear augmented plane wave (Wien2k, Fleur)

Pseudo potential plane wave (Quantum-Espresso)

Atoosa Zangeneh

      

  • Research:

Quantum Monte Carlo computations for 2D materials

  • Method:

Ab-initio simulations (Quantum-Espresso)

Quantum Monte Carlo (QMC) technique (CASINO)

Peiman Amiri (Phd)

      

  • Research:

Adsorption of poly-para-phenylene polymer on the graphene

Bulk and narrow MnSe nanowires in the Rock-slat structure

  • Methods:

Density functional theory and many-body Green's functions (ABINIT)

Ahmad Abdolmaleki

      

  • Website:

https://aabdolmaleki.physics.iut.ac.ir/

Ali Kazempoor (Phd)

      

  • Research:

Charged oxygen vacancies in 2D materials

Structural stability of hexagonal nanowires

  • Method:

Pseudo potential plane wave, Many-body Green's functions

(Quantum-Espresso)

Shekoufeh Khosravizadeh (Phd)

      

  • Research:

Study of surface and interface of heusler alloys

Topological description of bonding and magnetism in some materials

  • Methods:

Full potential linear augmented plane wave (Wien2k, Critic)

Pseudopotential plane wave (Quantum-Espresso)

Marzieh Salimi

      

  • Research:

Thermoelectric properties of (AgSbSe2)/AgSbSb2) superlattices

  • Methods:

Pseudo potential plane wave (Quantum-Espresso)

Boltzmann semiclassical transport (Boltztrap)

Hojat Mokhtari

      

  • Research:

Optical properties of nanoclusters

  • Method:

Time dependent density functional theory (Octopus)

Ali Mokhtari (Phd)

      

  • Research:

Electronic and structural properties of some nitrogen-based semiconductors 

  • Method:

Full potential linear augmented plane wave (Wien2k)

Najmeh Deyli-Nazar

      

  • Research:

Electronic and magnetic properties of 3D pyrochlores

  • Method:

Full potential linear augmented plane wave (Fleur)

 

Maedeh Zahedifar

      

  • Research:

Electronic and magnetic properties of CaN thin films on Cu(001)

  • Method:

Pseudo-potential plane wave, Nudged elastic band method

(Quantum Espresso)

Nahid Ghaderi (Phd)

      

  • Research:

Study of semiconductor-based nanostructures

  • Method:

Ab-initio simulations (Quantum-Espresso)

Maryam Balouchi

      

  • Research:

Quantum Monte Carlo computations for magnetic nanoparticles

  • Method:

Ab-initio simulations (Gaussian)

Quantum Monte Carlo (QMC) technique (CASINO)

Zahra Nourbakhsh (Phd)

      

  • Research:

p magnetism in binary calcium based compounds

Electronic structure of amorphous silicon

  • Method: 

Pseudo potential plane wave (Quantum-Espresso)

Elham Khorasani

      

  • Research:

Electric and magnetic properties of Pyrochlores

  • Method:

Full potential linear augmented plane wave (Fleur)

Zahra Torbatian (Phd)

      

  • Research:

Adsorption of molecules on silver nanocluster

Magnetic anisotropy in rare-earth compounds

  • Method:

 Full potential numeric atom centered orbitals (FHI-aims)

Shima Sharifi

      

  • Research:

Thermoelectric properties of AgSbSe2

  • Methods:

Pseudo potential plane wave (Quantum-Espresso)

Boltzmann semiclassical transport (Boltztrap)

Farinaz Fanaee Parvar

      

  • Research:

Will be announced

  • Method:

Will be announced

Nafiseh Rezaei (Phd)

      

  • Research:

Thermoelectric properties of AgSbTe2

Charge transfer in rare earth compounds

  • Methods:

Pseudo potential plane wave (Quantum-Espresso)

Maximally localized wannier functions (Wannier90+personal code)

Boltzmann semiclassical transport (Boltztrap)

Fatemeh Sadat Tabatabaei

      

  • Research:

Quantum transport in MoS2 nanoribbons

  • Method:

Pseudo potential plane wave + Wannier function

(Quantum Espresso, Wannier90)

Mohammad Rabani

      

  • Research:

Magnon spectra of p magnetic compounds

  • Method:

Full potential linear augmented plane wave (Fleur)

Mahtab Shirazi

      

  • Research:

First-principles search for stable and metastable structures of 3D materials

  • Method:

Pseudo-potential plane wave + Genetic algorithm

(Quantum Espresso, Uspex)

Zahed Allahyari

      

  • Research:

Searching for stable structures of (WO3)n nanoclusters

  • Methods:

Density functional theory and Genetic algorithm

(FHI-aims, USPEX)

Monireh Masjedi

      

  • Research:

Optical properties of some Dye metal-free molcules

  • Method:

Time-dependent density functional tight binding (TD-DFTB)

Mostafa Yaghoubi

      

  • Research:

Machine learning

Arsalan Hashemi

      

  • Research:

Temperature and magnetic effects on the stacking-fault energy in austenite iron and nickel

  • Method:

Density functional theory (The EMTO code)

Morteza Roostaei Nia

      

  • Research:

Advanced method for calculating the electronic structure of 2D and 3D semiconductors

  • Methods:

Pseudo-potential plane wave, DFT-1/2, ACBN0

(Quantum Espresso, AFLOWπ)

Navid Madanian

      

  • Research:

Configuration entropy of binary compounds

  • Method:

Cluster expansion

S. Ali Davudi Nasab

      

Farzaneh Shayan

      

  • Research:

First-principles search for metastable structures of bulk ZnO

  • Method:

Pseudo-potential plane wave + Genetic algorithm

(Quantum Espresso, Uspex)

Zohreh Mohammadi

      

  • Research:

Optical properties of some metal-free Dye molecules

  • Method:

Ab-initio simulations (Quantum-Espresso)

Time-dependent density functional perturbation theory (Turbo-TDDFT)

Shirin Shafiee

      

  • Research:

Simulation ‫‪of DNA in fluids

Maryam Saati Asr

      

  • Research:

Monolayers of p magnetic compounds on semiconductors

  • Method:

Pseudo potential plane wave (Quantum-Espresso)

Mohammad Reza Jangroui

      

  • Research:

Effect of short laser pulses on N2 molecule

  • Method:

 Time dependent density functional theory (Octopus)

Mohammad Nouroozi

      

  • Research:

Pedestrian dynamics

  • Method:

Classical dynamics based on social forces

(home-made package)

Marzieh Jafari

      

  • Research:

Effect of intrinsic point defects on electronic structure of ZnS

  • Method:

Pseudo-potential plane wave, Genetic Algorithm

(Quantum Espresso, Home made structure search package)

Seyed Mohammad Modarresi

      

  • Research:

Effect of extrinsic point defects on the electronic properties of CaS

  • Methods:

Full potential linear augmented plane wave (FP-LAPW), DFT-1/2

(Wien2k, Exciting)

Mohammad Mahdi Davari Isfahani

      

  • Research:

Optical properties of nanoclusters

  • Methods:

Ab-initio simulations (Quantum-Espresso, FHI-aims)

Time dependent density functional theory (Octopus)

Hamideh Kahnouji (Phd)

      

  • Research:

Magnetic coverages on 2D semiconductors

  • Methods:

Density functional theory

Monte Carlo technique

Homa Karimi

      

  • Research:

Monte Carlo and Parallel Tempering simulations of spin correlation for some materials

  • Methods:

Monte Carlo technique, Parallel Tempering

Mahdiyeh Aghajani

      

  • Research:

Structural, electronic, magnetic, and dynamical properties of nanoclusters

  • Methods:

Full potential linear augmented plane wave (Wien2k)

Full potential numeric atom centerd orbitals (FHI-aims)

Rouhollah Hafizi (Phd)

      

  • Research:

Structural and electronic properties of WS2 nanoclusters

  • Method:

Full-potential numeric atom centered orbitals + Genetic Algorithm

Amir asgari (PhD)

      

  • Research:

Effects of magnetic coverages on 2D semiconductor MoS2

  • Methods:

Pseudo-potential plane wave, Monte Carlo

(Quantum Espresso, Home made Monte Carlo package)

Mohammad Hasan Amiri

      

  • Research:

Structural properties of bulk MnSe and cubic MnSe(001) nanowires

  • Methods:

Full potential linear augmented plane wave (Wien2k)

Pseudopotential plane wave (Quantum-Espresso)

 

Mohammad Amirabbasi (PhD)

      

  • Research:

First-principles investigation of magnetic properties and terms of Spin Hamiltonian of 3D Pyrochlores

  • Method:

Full potential linear augmented plane wave (Fleur)

Mohammad reza Mosaferi

      

  • Research:

Mechanical and electrical properties of 2D semiconductors

  • Methods:

Density functional theory, Wannier functions

(Quantum Espresso, Wannier90)

Hasan Reza Dehghan

      

  • Research:

Structural and electronic properties of MgS crystals

  • Method:

Ab-initio simulations (CASTEP)

Mersad Mostaghimi

      

  • Research:

Maximally localized WANNIER functions derived from local orbitals

  • Method:

Full Potential Local Orbital (FPLO)

  • Website:

http://mmostaghimi.physics.iut.ac.ir/

Mahsa Shariati

      

  • Research:

Stable and metastable phases of 2D nanoclusters

  • Method:

Quantum Monte Carlo (QMC) technique

(CASINO)

Zeinab Emami

      

  • Research:

Length and binding energy of iron dimer

  • Methods:

Ab-initio simulations (Gaussian03)

Quantum Monte Carlo (QMC) technique (CASINO)

Mohammad Reza Nouri

      

  • Research:

Searching for stable structures of silicon nanoclusters

  • Methods:

Genetic algorithm

Density functional based tight binding method

Full potential numerical orbitals

Saeid Abedi

      

  • Research:

Topological semimetals

  • Methods:

Density functional theory, Maximally localized Wannier functions

(Wien2k, Wannier90, Wanniertools)

Hojjat Gholizadeh

      

  • Research:

Adsorption of carbon monoxide (CO) on Pt(111) surface

  • Method:

Full potential linear augmented plane wave (FP-LAPW)

(Wien2k)

 

Shima Heydarian

      

  • Research:

Investigation of optical properties of silicon nanoclusters

  • Method:

Time-dependent density functional tight binding (TD-DFTB)

Qaem Hasanzada

      

  • Research:

Effect of point defects in semiconductors

  • Method:

Density functional theory

 

Email: qaem.hassanzada@gmail.com

Rostam Golsorkhtabar

      

  • Research:

Structural, magnetic, and electronic properties of nickel-chromium alloys

  • Method:

Full potential linear augmented plane wave (FP-LAPW)

(Wien2k)

Shohreh Rafizadeh

      

  • Research:

Structural and electronic properties od MoS2 nanoclusters

  • Method:

Full potential numerical orbitals + Genetic algorithm
 

Ali Ghojavand

      

  • Research:

Germanium based 2D nanostructures, Effect of point defects on the electronic properties of Ge

  • Methods:

Density functional theory + Optical spectroscopy

(FHI-aims, Quantum-Espresso, Exciting, Wien2k)

Email: ghojavand_ali@yahoo.com

Ebrahim Hazrati

      

  • Research:

Structural, electronic, and magnetic properties of CrSe/ZnSe interfaces

  • Method:

Pseudopotential plane wave (Quantum-Espresso)

Hoda Sadat Jebeli

      

  • Research:

study of Berry curvatutr and intrinsic anomalous Hall conductivity in ferromagnetic materials

  • Methods:

Pseudo potential plane wave (Quantum-Espresso)

Maximally localized wannier functions(Wannier90)

Farzaneh Kazemifar

      

  • Research:

Molecular dynamics simulation of ion transport in KcsA channel

  • Method:

Classical molecular dynamics

Masoud Soltanipour

      

  • Research:

Pedestrian dynamics

  • Method:

Classical dynamics based on social forces

(home-made package)

Hamideh Kahnooji

      

  • Research:

Study of structural, electronic, magnetic and vibrational properties of copper nanoclusters

  • Method:

Full potential numeric atom centerd orbitals (FHI-aims)

Vajihe Nasr Isfahani

      

  • Research:

CaN monolayers on reconstructed surface of silicon

  • Method:

Pseudo potential plane wave

Siavash Karbasizaeh

      

  • Research:

Effect of point defects in semiconductors

  • Method:

Density functional theory, Hybrid Functionals

 

Email: siavash1373kar@gmail.com

Halimeh Najafvandzadeh

      

  • Research:

Structural, electric, magnetic, vibrational, and thermal properties of nanoclusters

  • Method:

Density functional theory, Many-body Green's functions

(Wien2k, FHI-aims)

Zohreh Hashemi

      

  • Research:

Structural and electronic properties of MoSe2 nanoclusters

  • Method:

Full potential numerical orbitals + Genetic algorithm

Farhad Ferdowsi

      

  • Research:

Electronic structure and conductivity properties of 2D materials

  • Methods:

Pseudopotential plane wave, Maximally localized wannier functions

(Quantum Espresso, Wannier90)

Mojtaba Najarzadegan

      

  • Research:

Structural, electric, magnetic, vibrational, and thermal properties of nanoclusters

  • Method:

Density functional theory, Many-body Green's functions

(Wien2k, FHI-aims)

 

Sadegh Ghaderzadeh

      

  • Research:

WS2 thin films on TiO2  (1 0 1) surface

  • Method:

Pseudo potential plane wave, Nudged elastic band

Neda Poorbafrani

      

  • Research:

Machine learning

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