FARAH MARSOOSI - Amirkabir University of Technology

Supervised PhD Theses

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Thesis title

By

Date

1

Molecular dynamics simulation of the SARS-CoV-2 spike protein and main protease in the presence of adamantane-based drug derivatives

SARINA YOUSEFBEIGI

2025 Sep

2

Molecular dynamics simulation of niosomal membrane and spherical structure based on the development of a coarse-grained model of niosomes composed of span 60 and tween 60 for the encapsulation of gallic acid

SHIVA NAJAFIAN & KAVOOS MIRABBASZADEH
Other Supervisor:

2025 Oct

Supervised MSc Theses

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Thesis title

By

Date

1

Analysis and simulation of diffusion of sodium ions in solid electrolyte batteries of NASICON type by changing the density of sodium, silicon and phosphorus elements

MAHAN SABERI ZAFARGHANDI

2024 May

2

Molecular dynamics simulation of the interaction of aminoadamantane derivatives, that have the inhibition property of Amyloid beta aggregation

MOHAMMAD SADEGHI SHARIF

2024 Apr

3

Study of ionic conductivity in with using the bond valence experimental method (BV) and molecular dynamics (MD)

MOHAMMAD REZA VALIZADEH

2023 May

4

Study of Ionic Conductivity in Li10GeP2S12 Crystal as Electrolyte for Solid State Batteries Using Geometrical Analysis and Molecular Dynamics

SHAHRZAD DABIRONEZARE

2023 May

5

Temperature dependency of Youngs modulus of a Graphene nanodrum via molecular dynamic simulation

ALI SEYFI & Afshin Taghvaeipour
Other Supervisor:

2022 Mar

6

Electric and Optical properties of carbon nanoparticles for use in cancer treatment

MARYAM ROSTAMI

2021 Oct

7

Theoretical Feasibility of Using Coronene Molecule and its Derivatives as DNA Bio-molecule Sensor By the method of Density Functional Theory

MOHAMMAD AJMAL KHISHKAI

2019 Oct

8

Thermal transport across Grain boundaries in polycrytalline graphene from Nonequilibrium molecular Dynamics simulations

FATEMEH KHAMSEHTABAR

2018 Nov

9

Molecular dynamics investigations of fluorne atoms desorbtion from graphene surface and study of melting process in a single-side fluorofraphene structure

YALDA PEDRAM

2018 Nov

10

DFT investigation of opto-electronic properties of diamond nanowires partially saturated with metals

ZAHRA HAMIDIA

2018 Feb

11

investigation of optoelectronic properties of carbon nanowire in diamond structure shape by using Density function theory

SEYEDMOSTAFA MONAVARI

2016 Oct

12

Theoretical investigate the structural and optoelectronic properties of P3HT -graphene nanocomposites with various graphene concentration

SANAZ GERIVANI

2015 Oct

13

Study of optical properties of organic or inorganic nanoparticles

MOHAMMAD GASEMNAZHAND

2015 Feb

14

Investigating the performance of graphene membranes in water purification from sodium chloride and lead chloride using molecular dynamics simulations

SARA SHAHSAVAN

2026 May

15

Optimization of Porous Boron Nitride Membranes for Cyanide Removal from Wastewater of Steel Manufacturing Plants

REZA GHORBANPOR GANJI

2025 Jun

Journal Papers

1

S. Najafian, F. Marsoosi, K. Mirabbaszadeh, "Martini 3 coarse-grained models of the niosomes based on Span60 and Tween60", Journal of Molecular Liquids, 2024 Aug vol. 410, no. 410, pp.1-12, 2024.

2

Seyyed Mostafa Monavari, Nafiseh Memarian, F. Marsoosi, "Carbon nanotube-assisted detection of methylated cytosine: A DFT study for epigenetic biomarker analysis", Diamond and Related Materials, 2024 May vol. 146, no. 146, pp.1-7, 2024.

3

S. Yousefbeigi, F. Marsoosi, "Structural insights into ACE2 interactions and immune activation of SARS-CoV-2 and its variants: an in-silico study", Journal of Biomolecular Structure and Dynamics, 2023 Nov vol. 1, no. 1, pp.1-14, 2023.

4

M.R. Valizadeh, F. Marsoosi, "Investigating and comparing the penetration mechanism and diffusion path of sodium and lithium in the structure of NaSICONs", Iranian Journal of Physics Research, 2023 Aug vol. 23, no. 2, pp.255-266, 2023.

5

M.A. Khishkai, M. Ghaseminejad, F. Marsoosi, "Biosensors based on graphene molecular nanoscale for detecting DNA molecular components", , 2023 Apr vol. 10, no. 1, pp.40-47, 2023.

6

S. M. Monavari, F. Marsoosi, Memarian, N, M. Gasemnazhand, "Carbon nanotubes and nanobelts as potential materials for biosensor", Scientific Reports, 2023 Feb vol. 13, no. 13, pp.3118-3127, 2023.

7

E. Khodaparastsiahmazgi, M. Ghaseminejad, F. Marsoosi, "Theoretical investigation of using armchair and zigzag carbon nano rings for DNA sequencing based on density functional theory", Iranian Journal of Physics Research, 2023 Feb vol. 22, no. 4, pp.879-897, 2023.

8

F. Marsoosi, Elahe Mostaani, N. D. Drummond, "Quantum Monte Carlo study of three-dimensional Coulomb complexes: Trions and biexcitons, hydrogen molecules and ions, helium hydride cations, and positronic and muonic complexes", Physical Review A, 2022 Dec vol. 106, no. 62822, pp.1-17, 2022.

9

Mohammad Qasemnazhand, Farhad Khoeini, F. Marsoosi, "Fullerene, fullerane and the fulleryne: A comparative thermodynamic study for a new member of the carbon cage family", Results In Physics, 2022 Oct vol. 43, no. 43, pp.106066-106073, 2022.

10

S. Yousefbeigi, F. Marsoosi, Y. Pedram, "Dynamics of fluorine atoms in a single-sided fluorination process on graphene: a molecular dynamics study", Journal of Research On Many-Body Systems, 2021 Oct vol. 11, no. 4, pp.124-138, 2021.

11

Y. Pedram, F. Marsoosi, S. Yousefbeigi, "Melting Process of Fluorinated Graphene: A Molecular Dynamics Study", Chemical Physics Letters, 2021 Sep vol. 780, no. 780, pp.138920-138920, 2021.

12

Y. Pedram, F. Marsoosi, S. Yousefbeigi, "Dynamics of fluorine atoms in a single-sided fluorination process on graphene: a molecular dynamics study", Journal of Research On Many-Body Systems, 2021 Jul vol. 11, no. 3, pp.142-165, 2021.

13

Mohammad Qasemnazhand, Farhad Khoeini, F. Marsoosi, "Predicting the new carbon nanocages, fullerynes: a DFT study", Scientific Reports, 2021 Jun vol. 11, no. 11, pp.2511-2525, 2021.

14

Mohammad Qasemnazhand, Farhad Khoeini, F. Marsoosi, "Optical Response of Sila-Fulleranes in Interaction With Glycoproteins for Environmental Monitoring", Frontiers In Physics, 2021 Jun vol. 9, no. 9, pp.691034-691040, 2021.

15

F. Marsoosi, S. Monavari, "Phononic and electronic features of diamond nanowires", Diamond and Related Materials, 2020 Nov vol. 109, no. 108051, , 2020.

16

F. Marsoosi, S. Monavari, "Improvement of performance of electronic devices based on polythiophane by using band gap engineering in the presence of graphene", Journal of Research On Many-Body Systems, 2019 Mar vol. 8, no. 19, pp.187-203, 2019.

17

F. Marsoosi, N D Drummond, M Verstraete, "The physics of single-side fluorination of graphene: DFT and DFT + U studies", Carbon, 2018 Dec vol. 144, no. 1, pp.615-627, 2018.

18

F. Marsoosi, S. Monavari, "Engineering of electronic gap of diamond nanowires saturated with hydrogen atoms by NH3 molecule: an ab initio study", Iranian Journal of Physics Research, 2018 Aug vol. 2, no. 18, pp.311-320, 2018.

19

F. Marsoosi, "Nuclear dynamic effects on electronic properties of functionalized T diamondoids", Physica E-Low-Dimensional Systems and Nanostructures, 2018 Jul vol. 103, no. 103, pp.435-443, 2018.

20

M. Gasemnazhand, F. Marsoosi, "Theoretical study of opto-electronic properties of silafulleranes using density functional theory", Journal of Research On Many-Body Systems, 2017 Dec vol. 7, no. 15, pp.77-85, 2017.

21

F. Marsoosi, I A Fedorov, S. Gerivani, "Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study", Journal of Physics-Condensed Matter, 2017 Dec vol. 30, no. 3, pp.35002-35008, 2017.

22

Mehri Javan Khoshkholgh, Mohammad Reza Abolhassani, F. Marsoosi, "farah marsusi farah marsusi Theoretical study of thieno-thiophene based low band gap copolymers and substituent effect on the optoelectronic properties of them", Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2017 Jun vol. A, no. 181, pp.24-29, 2017.

23

F. Marsoosi, M. Gasemnazhand, "Sila-fulleranes: promising chemically active fullerene analogs", Nanotechnology, 2016 May vol. 27, no. 27, pp.275704-275715, 2016.

24

Javan, F. Marsoosi, Aboulhasani, "Density functional theory investigation of opto-electronic properties of thieno[3,4-b]thiophene and benzodithiophene polymer and derivatives and their applications in solar cell.", Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2016 Feb vol. A, no. 136, pp.373-380, 2016.

25

I.a.fedorov, F. Marsoosi, T.p.fedorova, Y.n.zhuravlev, "First principles study of the electronic structure and phonon dispersion of naphthalene under pressure", Journal of Physics and Chemistry of Solids, 2015 Mar vol. 83, no. 83, pp.24-31, 2015.

26

F. Marsoosi, J. Sabbaghzadeh, "Theoretical model obtained in momentum space for charge transport in a system consisting of noninteracting polarons", Physical Review B, 2012 Mar vol. B, no. 85, pp.115302-115309, 2012.

27

F. Marsoosi, Sabbaghzadeh, N. D. Drummond, "Comparison of quantum Monte Carlo with time-dependent and static density-functional theory calculations of diamondoid excitation energies and Stokes shifts", Physical Review B, 2011 Dec vol. B, no. 84, pp.24531-24542, 2011.

Taught Courses

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Course title

Description

Headlines

Date

1

Advanced Solid State Physics (I)

درک خواص فیزیکی مواد جامد

4051

2

Micro& Nano Quantum Material

Understanding quantum phenomena in advanced materials.

4051

3

Solid State (II)

درک خواص فیزیکی جامدات

4051

4

General Physics (I)

مبانی مکانیک بر اساس قانون دوم نیوتن

4042

5

Density Function Theory and Its Applications

فراگیری روش های محاسباتی تابعی چگالی در ماده چگال

4042

6

Solid State Physics (I)

یادگیری مفاهیم و مطالعه خواص گرمایی و اپتیکی جامدات بر پایه رفتارهای فونونی و الکترونی و هندسه کریستالی: هندسه کریستال و ریاضیات مربوط به

4042

7

Advanced Solid State Physics (I)

4041

8

General Physics (I)

4041

9

Seminar

4041

10

General Physics (I)

4032

11

Advanced Solid State Physics (I)

4032