Sharif University of Technology
Chemistry Department
Computational Spectroscopy Lab

Group Members

Current members and the alumni of Jamshidi group.

Current Members

Dr. fatemeh khalili

(2023-present)

Simulation of optical properties in quantum plasmonic nanocavities: Investigating interparticle coupling effects in silver nanoparticles

Email Address

Fatemeh shamsali

(2019-present)

Study of Charge-Transfer Mechanism of Surface-Enhanced Resonance Raman Spectroscopy (SERRS) for Conjugated Cyclic Compounds Considering Herzberg-Teller Corrections

email address

elaheh dehnari

(2020-present)

Factors Controlling the Kinetics of Electron - Transfer in Molecular Wires with Terminal Electroactive Groups: Experimental and Theoretical Investigation

email address

kimia kargar

(2020-present)

Quantum Dynamic Calculations of Plasmonic Nanocavity and Investigation of the Strong Coupling with Molecular Electronic States

email address

hossein hadi

(2021-present)

Quantum Dynamic Calculations of Plasmonic Nanocavity and Investigation of the Strong Coupling with Molecular Electronic States

email address

Nima shams

(2023-present)

Project Title

email address

soheib shahmohammad nezhad

(2024-present)

Project Title

email address

Maryam Hosseini

(2024-present)

Project Title

email address

faraz alaghemand

(2020-present)

Nature of Plasmonic Excitations for Closely Spaced Graphene Dimers

email address

amirhosein amini

(2022-present)

Investigation of Ag 104 Nano Rod as Quantum Antennas to Enhance the Pyrazine Molecule Absorption Spectra Using MCTDH Method

email address

aydin bagheri

(2023-present)

Calculation of Vibrational Spectrum for Linear Polyconjugate Compounds

email address

Masoud Mozafari

(2024-present)

Calculation of Vibronic Hamiltonian Parameters for Complex Systems

email address

Alumni

1. Dr. Sahar Ashtari (M.Sc. and Ph.D.)
Project:  Theoretical Investigation of the Main Factors in SERS-CT Selection Rules

2. Dr. Narges Asadi (Ph.D.)
Project: Theoretical and computational study of plasmon in metal systems

3. Dr. Mozhdeh Mohammadpour (Ph.D.)
Project: Surface-enhanced Raman scattering properties of metal clusters within the independent mode displaced harmonic oscillator

4. Dr. Mani Vahid Dastjerdi (Ph.D.)
Project: Asphaltene aggregation under the influence of structural features and interaction energies: Combination of quantum mechanical and molecular dynamics approaches

5. Dr. Amin Koochaki (Postdoc)
Project: Simulation of CO2 Capture Mechanisms

6. Dr. Mohammad Reza Gharib-Zahedi (Postdoc)
Project: Computational Vibrational spectra of Au-Cluster Complexes from ab initio Molecular Dynamics 

7. Dr. Maryam Motallebipour (Postdoc)

8. Dr. Mohammad Hasan Khodabandeh (Postdoc)
Project: Plasmonic Behaviour of Molecular Clusters

9. Dr. Zahra A. Tehrani (Postdoc)
Project: Charge Transfer Phenomena in Graphene Based Solar Cells

10. Mahkam Madadi (M.Sc.)
Project: Investigation of Plasmonic Excitations in Carbonic Nanostructrues within Near-IR

11. Sajad Moradi (M.Sc.)

12. Erfan Mahmoudi (M.Sc.)
Project: Computational Study of Quantum Plasmonic 

13. Mohammadtaghi Maghsoudi (M.Sc.)
Project: Theoretical Investigation of Charge-Transfer Resonance Raman Scattering 

14. Sara Yasrebi (M.Sc.) 
Project: Raman properties of small silver clusters in rare gas matrix

15. Sohrab Sadeghizadeh (M.Sc.)
Project: Comparing the accuracy of density functional methods for studying UV-Vis spectra of small metal clusters

16. Davood Alizadeh (M.Sc.)
Project: Potential energy curves for the ground and low-lying excited states of diatomic metals

17. Elmira Azizi (M.Sc.)
Project: Structural Configuration & Electronic Properties of Metal Clusters on Graphene

18. Mahsa Mazidi (M.Sc.)
Project: Theoretical Investigation of Interaction of gold-iron Clusters with N, O and S Functionalized molecules

19. Maryam Fakhraei Far (M.Sc.)
Project: Investigation the nature of interaction between coinage metal clusters with rare gas atoms

20. Elham Kaveei (M.Sc.)
Project: Optical Properties of Small Metal Clusters

21. Bentelhoda Nouri (M.Sc.)
Project: Interaction of Amino Acids with Gold NanoParticles; Theoretical and Experimental Investigation

22. Mohammadhassan Jabalameli (M.Sc.)

23. Nima Nasiri (Undergraduate)

24. Omid Hosseinzadeh (Undergraduate) 
Project: Computational Investigation of Charge Transfer Mechanism in OPI Nanowires

25. Reza Bagheri (Undergraduate)

26. Parham Rezaee (Visitor)
Project: Catalytic Activity of Small Metal Cluster with Ab-initio Molecular Dynamic

27. Dr. Mehdi Shakorian Fard (Visitor)
Project: Surface Charge-Transfer Doping of Graphene 

28. Dr. Aram Ghaempanah (Visitor)