Mohammad Hossein Kowsari
Mohammad Hossein Kowsari
+98 24 3315 3207
mhkowsari [at] iasbs.ac.ir
Chemistry Building, Room 207

Description

Dr. Kowsari's research team focuses on Molecular Dynamics (MD) Simulation of ionic liquids with the aim of investigating the microscopic structure, dynamics, transport, and thermodynamic properties of these neoteric green solvents in the pure and/or mixture form. Both the bulk and the confined liquid states are considered. Dr. Kowsari's research group also interest to the MD study of Zeolites, Nano-confined fluids, and Carbon Nanotubes systems.
More recently, we have been working on problems in the area of simulation of binary mixtures of ionic liquids with CO2, Water, and CH3CN. We also focus on air separation and H2 adsorption properties of Li-LSX zeolite.

Research interests

Molecular Dynamics Simulation, Computational Chemistry, Modelling of Ionic Liquids, Zeolites, Biological Systems, and Nano Structures

Courses

Advanced Physical Chemistry

Statistical Thermodynamics

New Topics in Physical Chemistry

Molecular Simulation

Molecular Spectroscopy

Theoretical Chemistry of Nano-structures

Seminar

Publications

Soraya Ebrahimi and M. H. Kowsari, "Fine Probing the Effect of Replacing [PF3(C2F5)3]− with [PF6]− on the Local Structure and Nanoscale Organization of [bmim]+-Based Ionic Liquids Using MD Simulation", Phys. Chem. Chem. Phys., Vol. 21, NO. 6, 2, 2019, doi: 1

M. H. Kowsari and Leila Tohidifar, "Systematic Evaluation and Refinement of Existing All-atom Force Fields for the Simulation of Liquid Acetonitrile", J. Comput. Chem., Vol. 39, NO. 23, 9, 2018, doi: 2

M. H. Kowsari and Leila Tohidifar, "Cover Image of "Systematic Evaluation and Refinement of Existing All-atom Force Fields for the Simulation of Liquid Acetonitrile"", J. Comput. Chem., Vol. 39, NO. 23, 9, 2018, doi: 3

M. H. Kowsari and Soraya Ebrahimi, "Capturing the Effect of [PF3(C2F5)3]− vs. [PF6]−, Flexible Anion vs. Rigid, and Scaled Charge vs. Unit on the Transport Properties of [bmim]+-Based Ionic Liquids: A Comparative MD Study", Phys. Chem. Chem. Phys., Vol. 20, NO. 19, 5, 2018, doi: 4

M. H. Kowsari, "Single-Component Structural Correlation and Self-Diffusion of N2 and O2 Through Nanopores of Li-LSX Zeolite: The Role of Temperature, Loading, and Li-III Cations", Microporous and Mesoporous Materials, Vol. 264, NO. 10, 6, 2018, doi: 5

M. H. Kowsari, "Tracing Experimentally Compatible Dynamical and Structural Behavior of Atmospheric N2/O2 Binary Mixtures within Nanoporous Li–LSX Zeolite: New Insights to Influence of Extra-Framework Cations by MD Simulations", J. Phys. Chem. C, Vol. 121, NO. 3, 1, 2017, doi: 6

M. H. Kowsari and Shabnam Naderlou, "Understanding the Dynamics, Self-Diffusion, and Microscopic Structure of Hydrogen Inside the Nanoporous Li-LSX Zeolite", Microporous and Mesoporous Materials, Vol. 240, NO. 4, 3, 2017, doi: 7

Z. Pouramini and A. Mohebbi and M. H. Kowsari, "Atomistic Insights into the Thermodynamics, Structure, and Dynamics of Ionic Liquid 1-Hexyl-3-methylimidazolium Hexafluorophosphate via Molecular Dynamics Study", J. Mol. Liq., Vol. 246, NO. 22, 11, 2017, doi: 8

M. H. Kowsari and Leila Tohidifar, "Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations", J. Phys. Chem. B, Vol. 120, NO. 41, 10, 2016, doi: 9

M. H. Kowsari and Mostafa Fakhraee, "Influence of Butyl Side Chain Elimination, Tail Amine Functional Addition, and C2 Methylation on the Dynamics and Transport Properties of the Imidazolium-Based [Tf2N –] Ionic Liquids from Molecular Dynamics Simulations", J. Chem. Eng. Data, Vol. 60, NO. 3, 1, 2015, doi: 10

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