Kowsari Research Group

News-2025:

Meeting and Workshop on Molecular Dynamics Simulation of Various Biological and Chemical Systems May 14-15, 2025. Institute for Advanced Studies in Basic Sciences (IASBS)

[see poster about this event: Poster-Workshop(IASBS)]

- Our new paper accepted (3 January) in J. Phys. Chem B, 2025.;

the title of this paper is:
"Capturing the Effect of Anion Type on the Intermolecular Interactions between Water and Imidazolium-Based Ionic Liquids: A Comparative DFT Study"

{see link}

News-2024:

incoming MSc Defense:
S. Rezaei, 2024-09-17; 14:00

Thesis Title: "Loading of the methotrexate anticancer drug on a surface-modified boron nitride nanotube: A molecular simulation study"

- Our new paper published in ACS Appl. Bio Mater. 2024, 7, 3, 1558–1568;

the title of this paper is:

"Tracing the Antibacterial Performance of Bis-Imidazolium-based Ionic Liquid Derivatives"

{see link}

News-2023:

incoming MSc Defense:
N. Shokri, 2023-03-01; 16:00
F. Rahimi, 2023-09-13; 14:00
K. Hashemifar, 2023-09-20; 14:00
M. Qaseminanfard, 2023-10-04; 9:00

News-2022:

- Our new paper published (23 December) in J. Phys. Chem B, 2022.;

the title of this paper is:
"Tracing the Effect of Replacing [Gly]⁻ with [Ala]⁻ and Hydroxylation of [emim]⁺ on the Fine-Tuning of the Transport Properties of the Corresponding Amino Acid-Based Ionic Liquids using MD Simulation"

{see link}

Dear Ms. Farzaneh Jalali Congratulations!

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incoming PhD Defense:
F. Khorrami, 2022-10-03; 14.00. Dear Farzad Congratulations!

- Our new paper published in J. Chem. Phys., 2022, 156, 214701;

the title of this paper is:

"Tracing the origin of heterogeneities in the local structure and very sluggish dynamics of [Cho][Gly] ionic liquid confined between rutile and graphite slit nanopores: A MD study"

{see link}

News-2021:

Welcome to Dr. Leila Tohidifar:

Dr. Tohidifar joint to our group as the PostDoc. researcher from August 2021, funded by INSF.

Dr. Kowsari as a speaker of The 6th Regional Conference on Climate Change & Global Warming, Virtual, IASBS, March 4-5, Zanjan, Iran.

Dr. Saman Alavi from Ottawa, Canada, as our special guest in IASBS (his online Talk file about MD simulation of Clathrate Hydrates)
(Feb. 23, 2021, IASBS, Zanjan, Iran)

News-2020:

- Our new paper published in J. Phys. Chem. B, 2020, 124, 6972-6985;

the title of this paper is:

"Molecular Dynamics Insights into the Nanoscale Structural Organization and Local Interaction of Aqueous Solutions of Ionic Liquid 1-Butyl-3-Methylimidazolium Nitrate" {see link}

- Our new paper published in J. Phys. Chem. B, 2020, 124, 3770-3783;

the title of this paper is:

"Tracing Local Nanostructure of the Aqueous Solutions of the Biocompatible [Cho][Gly] Ionic Liquid: Importance of Hydrogen Bond Attraction between Like-Charged Ions" {see link}

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Dr. Mohammad Hossein Kowsari
============================
Associate Professor of Physical Chemistry,
Department of Chemistry,
and Center for Research in Climate Change and Global Warming (CRCC), Institute for Advanced Studies in Basic Sciences (IASBS ),
Gava Zang Street, Prof. Yousef Sobouti Blvd.,
Zanjan 45137-66731, Iran.
P. O. Box 45195–1159.

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My CV [CV in english.pdf] [CV in persian.pd f] [My Google Scholar link]

Education

B.Sc. Pure Chemistry (June 2000)
University of Isfahan

M.Sc. Physical Chemistry (June 2002)
Isfahan University of Technology

Ph.D. Physical Chemistry (Oct 2009)
Isfahan University of Technology

Professional Experience

Associate Professor, IASBS (Jan 2018 – present)

Director of the Education Office, IASBS (Nov 2013 – Nov 2015)

Assistant Professor, IASBS (Feb 2011 – Jan 2018)

Postdoctoral fellow, IASBS (Oct 2010 – Feb 2011)

Postdoctoral fellow, Isfahan University of Technology (Oct 2009 – Oct 2010)

Invited Instructor, Peyam–Noor University (Oct 2002 – July 2004)

=================================================

Contact Information

Email: mhkowsari@iasbs.ac.ir & mohammad.kowsari@gmail.com
Tel: (+98) 24 3315 2258
Fax: (+98) 24 3315 3232
Room: physcis-258
Departmental web page, Chemistry
Center for Research in Climate Change and Global Warming (CRCC)

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, biomolecules, crude-oil, 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.

Meeting and Workshop on Molecular Dynamics Simulation of Various Biological and Chemical Systems May 14-15, 2025. Institute for Advanced Studies in Basic Sciences (IASBS)

Our new paper published (23 December, 2022) in J. Phys. Chem B : https://doi.org/10.1021/acs.jpcb.2c07805
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Our new paper published (01 June, 2022) in J. Chem. Phys. : https://doi.org/10.1063/5.0092381

Cover Image, Issue 23, Vol. 39, J. Comput. Chem. 2018@Wiely

Cover Image, Volume 39, Issue 23, J. Comput. Chem., 24 September 2018.

First published: 24 September 2018; https://doi.org/10.1002/jcc.25643

Cover Image Abstract:

The work by Mohammad H. Kowsari and Leila Tohidifar, described on page 1843, focuses on the evaluation and refinement of several available all-atom force fields for liquid acetonitrile (ACN). the authors also propose a refined six-site potential model which provides a reasonable precision to describe microscopic structure, dynamics, and thermodynamic properties of ACN when compared to other proposed models. The effective stage of the refinement process is the fine-tuning of the Lennard-Jones (LJ) parameters of the hydrogen atoms and the nitrile group to reproduce the experimental data. (DOI: 10.1002/jcc.25337)

Dr. M.H. Kowsari Research Group

Welcome

Cover Image, Volume 39, Issue 23, J. Comput. Chem., 24 September 2018.