Brief CV
🔬 Research Interests & Expertise
○ Molecular Dynamics Simulation
○ Ab-initio & Density Functional Theory Calculations
○ Solid/Liquid & Liquid/Liquid Interfacial Phenomena
○ Nanofluidics & Nanoconfinement
💻 Skills
○ Dlpoly ◼️◼️◼️◼️◼️◼️◻️
○ Lammps ◼️◼️◼️◼️◻️◻️◻️
○ Gromacs ◼️◼️◻️◻️◻️◻️◻️
○ Gaussian ◼️◼️◼️◼️◼️◻️◻️
○ Quantum Espresso ◼️◻️◻️◻️◻️◻️◻️
○ Python Programming ◼️◼️◻️◻️◻️◻️◻️
○ Parallel Calculations ◼️◼️◼️◻️◻️◻️◻️
○ English ◼️◼️◼️◼️◼️◼️◻️
○ Molecular Dynamics Simulation
○ Ab-initio & Density Functional Theory Calculations
○ Solid/Liquid & Liquid/Liquid Interfacial Phenomena
○ Nanofluidics & Nanoconfinement
💻 Skills
○ Dlpoly ◼️◼️◼️◼️◼️◼️◻️
○ Lammps ◼️◼️◼️◼️◻️◻️◻️
○ Gromacs ◼️◼️◻️◻️◻️◻️◻️
○ Gaussian ◼️◼️◼️◼️◼️◻️◻️
○ Quantum Espresso ◼️◻️◻️◻️◻️◻️◻️
○ Python Programming ◼️◼️◻️◻️◻️◻️◻️
○ Parallel Calculations ◼️◼️◼️◻️◻️◻️◻️
○ English ◼️◼️◼️◼️◼️◼️◻️
Educational records
#
Course
University
City
Country
Graduation Date
Total mean
1
Chemistry
Shiraz University
Shiraz
IR Iran
2007
2
Physical Chemistry
Shiraz University
Shiraz
IR Iran
2010
3
Physical Chemistry
Shiraz University
Shiraz
IR Iran
2016
Languages
#
Language
Translation Skill
Dialogue Skill
1
English
Very good
Very good
Professional skills
#
Title
Date of activity
1
Molecular Dynamics Simulation
2
Python Programming
3
Parallel Calculations
Academic & scientific positions
#
Responsibilities Titles
Name of Organization
Starting Date
Termination Date
1
PostDoc Researcher
Sharif University of Technology
Research interests
#
Title
Start date
1
Solid/Liquid & Liquid/Liquid Interfacial Phenomena
2
Nanofluidics & Nanoconfinement
3
Enhanced Oil Recovery
4
Additives for Lubricants
5
Drug Delivery
6
Hard Tissue Regeneration
7
Molecular Mechanisms
8
Molecular Dynamics Simulations
Research projects
#
Project Titles
Executers
Supportive Organization
Place of Execution
Project Situation
Completion Date
1
ٍSmart Water Injection into Carbonate Reservoirs
Running
-
Journal Referee
#
Magazine Title
Date of Cooperation & Explanations
1
Applied Surface Science
2
Colloids and Surfaces A: Physicochemical and Engineering Aspects
3
Computational and Theoretical Chemistry
4
Fluid Phase Equilibria
5
Fuel
6
Geoenergy Science and Engineering
7
Journal of Molecular Liquids
8
Journal of Rock Mechanics and Geotechnical Engineering
9
Surfaces and Interfaces
Workshops participated
#
Workshops & Courses Titles
Functional Organization
Place
Date
1
IASBS-ICTP School on Active Matter and Chemotaxis
2
6th Workshop on Collaborative Scientific Software Development and Management of Open Source Scientific Packages
3
10th International Chemical Engineering Congress & Exhibition (IChEC 2018)
Theses advised
#
Title
Persons
1
Investigation of the performance capacitive deionization method with MXene cathode and graphene anode on water desalination using molecular dynamics simulation
محمد عرفان رنجبرآزاد
2
Molecular dynamics simulation of reverse osmosis water desalination through imidazolate zeolite framework membrane
فاطمه عابدینی
3
Optimizing and investigating the mechanism of the water purification process with MXene two-dimensional materials using molecular dynamics
علی آقاقدیری کاشی
Course taught
#
Lesson Title
Place & Date of Lecture
1
General Chemistry
2
General Chemistry Laboratory
3
Physical Chemistry
4
Physical Chemistry Laboratory
5
Advanced Physical Chemistry
Workshops contributed
#
Workshops & Courses Titles
Functional Organization
Place
Date
1
Molecular Dynamics Simulation of Biological Systems
Published articles
#
Paper title
Writer
Magazine title
Publish year
Publish type
Article type
1
On the protonated forms of alkyl-bonded polycyclic aromatic heterocycles: Structure prediction and characterization using density functional theory
M.A. Esmaeilbeig, M. Khorram, Mohammad Mehdi Koleini, S. Ayatollahi, A.R. Zolghadr
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
2023
Full Text
Original Article
2
Atomistic insight into salinity dependent preferential binding of polar aromatics to calcite/brine interface: implications to low salinity waterflooding
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Hassan Mahani, Ali Mirzaalian Dastjerdi, Shahab Ayatollahi, Mohammad Hossein Ghazanfari
Scientific Reports
2021
Full Text
3
Ion-specific interactions at calcite-brine interfaces: a nano-scale study of the surface charge development and preferential binding of polar hydrocarbons
Mohammad Hasan Badizad, Mohammad Mehdi Koleini, Hugh Christopher Greenwell, Shahab Ayatollahi, Mohammad Hossein Ghazanfari, Mohsen Mohammadi
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2020
Full Text
4
A Deep Look into the Dynamics of Saltwater Imbibition in a Calcite Nanochannel: Temperature Impacts Capillarity Regimes
Mohammad Hasan Badizad, Mohammad Mehdi Koleini, Hugh Christopher Greenwell, Shahab Ayatollahi, Mohammad Hossein Ghazanfari
LANGMUIR
2020
Full Text
5
How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study
Mohammad Hasan Badizad, Mohammad Mehdi Koleini, Remco Hartkamp, Shahab Ayatollahi, Mohammad Hossein Ghazanfari
JOURNAL OF COLLOID AND INTERFACE SCIENCE
2020
Full Text
6
The Impact of Salinity on the Interfacial Structuring of an Aromatic Acid at the Calcite/Brine Interface: An Atomistic View on Low Salinity Effect
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Remco Hartkamp, Shahab Ayatollahi, Mohammad Hossein Ghazanfari
JOURNAL OF PHYSICAL CHEMISTRY B
2020
Full Text
7
Interactions between Rock/Brine and Oil/Brine Interfaces within Thin Brine Film Wetting Carbonates: A Molecular Dynamics Simulation Study
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Zahra Kargozarfard, Shahab Ayatollahi
ENERGY and FUELS
2019
Full Text
8
An atomistic insight into the implications of ion-tuned water injection in wetting preferences of carbonate reservoirs
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Mohammad Hadi Ghatee, Shahab Ayatollahi
JOURNAL OF MOLECULAR LIQUIDS
2019
Full Text
9
An atomistic insight into interfacial properties of brine nanofilm confined between calcite substrate and hydrocarbon layer
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Shahab Ayatollahi
APPLIED SURFACE SCIENCE
2019
Full Text
10
The impact of salinity on ionic characteristics of thin brine film wetting carbonate minerals: An atomistic insight
Mohammad Mehdi Koleini, Mohammad Hasan Badizad, Zahra Kargozarfard, Shahab Ayatollahi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2019
Full Text
11
Effects of low salinity water on calcite/brine interface: A molecular dynamics simulation study
Mohammad Mehdi Koleini, Mohammad Fattahi Mehraban, Shahab Ayatollahi
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2018
Full Text