Hello, my name is

Mostafa Ataee Khorrami

Researcher

📧 Email: [email protected]
📧 Backup: [email protected]
đź“Ť Sherbrooke, QC, Canada

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About Me

I explore how atomic-scale interactions shape the behavior of real materials and systems. Through multiscale modeling and nanoscale engineering and synthesis, I connect fundamental physics with system-level performance, enabling deeper insight and more intentional design of advanced materials and technologies.

Modeling, designing, and engineering materials

With a background in Chemical Engineering, ongoing PhD research in Chemistry, and hands-on experience in nanoparticle fabrication and characterization, I investigate material properties and develop strategies to manipulate them for targeted real-world applications. I work with molecular dynamics, Monte Carlo simulations, finite element analysis, and nanoscale synthesis and characterization to study transport phenomena, sensors, energy conversion, and structure–property relationships in both soft and hard materials

These approaches support a range of functional applications, including photothermal therapy, targeted drug-delivery systems, wastewater treatment, and the development of emerging advanced materials. By integrating computational modeling with experimental insight, I aim to establish quantitative understanding that guides the design of more efficient, adaptable, and high-performance technologies.

Education

Ph.D., Chemistry
Université de Sherbrooke, Canada

M.Sc., Chemical Engineering
University of Tehran

B.Sc., Chemical Engineering
University of Guilan

Honors

  1. Excellence Scholarship for Graduate Research Studies Université de Sherbrooke

    (CAD $54,000 for 3 years)

  2. Full Tuition Scholarship

    University of Tehran

  3. Full Tuition Scholarship

    University of Guilan

Keywords

  1. Nanomaterials
  2. Polymers
  3. Localized surface plasmon resonance
  4. Multi-scale simulation
  5. Sensors
  6. Catalysis and photo-catalysis
  7. Wastewater treatment
  8. Metal-Organic Frameworks (MOFs)
  9. Renewable energy
  10. Drug delivery systems

What I do

From defining the problem to developing models and delivering meaningful insights, I support every step of the scientific and engineering process.

Nanoscale Sensing

Using engineered nanomaterials to detect chemical, biological, or environmental signals with high sensitivity.

Photothermal Therapy

Designing plasmonic nanoparticles that convert light into heat for targeted biomedical treatment.

Targeted Drug-Delivery Systems

Developing nanoscale carriers that control drug loading, release, and transport within biological environments.

Wastewater Treatment

Exploring nanomaterials and interfaces for pollutant removal, adsorption, and catalytic degradation.

Energy Conversion

Studying how nanoscale structure influences thermal, optical, and electronic processes in energy-relevant materials.

Battery Thermal Management

Investigating heat generation, dissipation, and thermal runaway control in battery materials and interfaces.

Publications

Papers in International Journals

1. Mostafa Ataee Khorrami, Shabnam Sohrabnezhad, Azadeh Asadollahi, Amideddin Nouralishahi, Ahmad Hallajisani, “Enhanced photo-degradation of organic contaminants on CdS/magnetic aluminum fumarate metal-organic framework as a novel Z-scheme photocatalyst under visible light: A comprehensive study” Published in Colloids and Surfaces A: Physicochemical and Engineering Aspects journal

 (https://doi.org/10.1016/j.colsurfa.2023.132399).

 

2. Mostafa Ataee Khorrami, Shabnam Sohrabnezhad, Azadeh Asadollahi, “Synthesis and characterization of α- Fe2O3 nanoplates/aluminum fumarate metal-organic framework nanosheets as a nanocarrier for anticancer drug” Published in Materials Today Chemistry journal

(https://doi.org/10.1016/j.mtchem.2023.101777).

 

3. Mostafa Ataee Khorrami, Amideddin Nouralishahi, Shabnam Sohrabnezhad, Azadeh Asadollahi, “Enhanced visible-light-active MOF-based PbO photocatalyst for binary dye decolorization: A comprehensive study” Published in Journal of Molecular Liquids

(https://doi.org/10.1016/j.molliq.2024.124722).

 

Oral Presentation

1. Mostafa Ataee Khorrami, et al. Modeling of Thermal Transport in Polymer-Grafted Gold Nanocapsules, COINS 2025 – Colloid and Interface Symposium, held June 10–13, 2025 in Bordeaux, France.

Conference Papers

1. Mostafa Ataee Khorrami, et al. “Photocatalytic degradation of methyl green over CdS nanorods under visible light: Optimization and modeling by the RSM” at the 4th International Conference on Chemistry and Chemical Engineering, which was held in Tehran on 1st December 2022.

 

2. Mostafa Ataee Khorrami, et al. “Optimization and modeling of photo-degradation of Congo red on PbO nanolayers under visible light using the Box-Behnken design” at the 4th International Conference on Chemistry and Chemical Engineering, which was held in Tehran on 1st December 2022.

 

3. Mostafa Ataee Khorrami, et al. “Review of Photocatalytic Processes for Wastewater Treatment Using Metal-organic Frameworks” at the 5th national Congress of Chemistry and Nanochemistry from Research to Technology, which was held in Tehran on 17th November 2022.

Posters

1. Simulation of Gold Nanoparticle-Based Nanocapsule Biosensors LN2 Conference, Château Bromont, Quebec, July 9–11, 2024

2. Modeling of Thermal Transport in Polymer-Grafted Gold Nanocapsules Nano Day – 3IT.nano, Club de golf, Sherbrooke, June 5, 2025

My Experience

Teaching Assistantships

Physical Chemistry Methods

Université de Sherbrooke, Canada (2025 to Present) ; Professor: Dr. Yue Zhao

Advanced Reactor Design

University of Tehran (2021 to 2022); Professor: Dr. Amideddin Nouralishahi

Material and Energy Balance

University of Tehran (2021 to 2022); Professor: Dr. Amideddin Nouralishahi

Analytical Chemistry

University of Guilan, Faculty of Engineering (2017 to 2018); Professor: Dr. Azadeh Asadollahi

Industrial Internship

Combined Cycle Power Plant

Guilan Electric Power Generation Management Co., Rasht, Iran (July-September 2018); Professor: Dr. Ahmad Dadvand Kouhi 

Skills

A curated set of modeling, programming, and characterization skills that support my research in nanoscale materials and multiscale simulations.

Simulation

LAMMPS (Advanced)
Molecular Dynamics (Advanced)
Ansys Lumerical (Proficient)
Finite Element Modeling (Proficient)
COMSOL (Familiarity)
Material Studio (Familiarity)
Packmol (Advanced)
Aspen Plus (Proficient)

Programming & Analysis

Python 
MATLAB 
Design-Expert 
Minitab 
SPSS
Microsoft 365 
Origin 
ImageJ
Photoshop

Characterization

High-Resolution Transmission Electron Microscopy (HR-TEM)
Field-Emission Scanning Electron Microscopy (FE-SEM)
X-ray Diffraction (XRD)
Energy-Dispersive X-ray Spectroscopy (EDS)
Brunauer–Emmett–Teller Surface Area Analysis (BET)
Fourier-Transform Infrared Spectroscopy (FT-IR)
Diffuse Reflectance Spectroscopy (DRS)
Photoluminescence Spectroscopy (PL)
Electrochemical Impedance Spectroscopy (EIS)
Mott–Schottky Analysis
Photocurrent Spectroscopy
Vibrating Sample Magnetometry (VSM)

Contact

I welcome questions about my research, potential collaborations, and academic connections.

Academic Profiles 

LinkedIn: https://www.linkedin.com/in/mostafa-ataee-khorrami

Google Scholar: https://scholar.google.com/citations?user=uNXCVisAAAAJ&hl=en

ResearchGate: https://www.researchgate.net/profile/Mostafa-Ataee-Khorrami

Location

Department of Chemistry and the 3IT Research Institute, Université de Sherbrooke Sherbrooke, Québec, Canada

Email

[email protected]

[email protected]