Dr. M.H. Kowsari Research Group

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Presentations and Posters






incoming MSc Defense:
S. M. Torabi2017-09-11; 17:00
F. Jalali, 2017-!!-!!; !!:00

Our accepted manuscript in J. Mol. Liq., Available online 15 September 2017;
the title of this paper is:
"Atomistic insights into the thermodynamics, structure, and dynamics of ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate via molecular dynamics study"
 {see link}

Our new paper available 
Published online 18 January 2017.
Published in print 26 January 2017.
the title of this paper is:
"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, 121 (3), 1770-1780 (2017) DOI: 10.1021/acs.jpcc.6b11611, [link].


Our accepted manuscript in Microporous and Mesoporous Materials, Available online 26 October 2016;

the title of this paper is:
"Understanding the dynamics, self-diffusion, and microscopic structure of hydrogen inside the nanoporous Li-LSX zeolite"
Micropor. Mesopor. Mater., 140, 39-49 (2017)
{see link}

incoming MSc Defense:
A. Ganjkhanloo2016-09-27; 11:00
B. Noori2016-09-27; 17:00
F. Rezaei2016-10-01; 15:30.

Our new paper available 
Published online 22 September 2016
Published in print 20 October 2016
J. Phys. Chem. B (DOI:10.1021/acs.jpcb.6b08396)

the title of this paper is:
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, 120 (41), 10824-10838 (2016), {see link}.

TCCW 2016 in IASBS
5th Theoretical and Computational Chemistry Workshop and Seminar
A two-day workshop and seminar on the theoretical and computational chemistry will be held in Zanjan on 14-15 Bahman 1394, 3 -4 February 2016; which will be hosted and supported by IASBS, Zanjan, Iran. 


incoming MSc Defense:
B. Nemati, March 11, 2015; 15:30

Our second paper related [amim][Tf2N] ILs published online 13 January 2015 in the J. Chem. Eng. Data (2015, 60 (3), pp 551–560; DOI:  10.1021/je500618w)
the title of this paper is:
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
{see link}


Our new paper published online 18 August 2014 in the J. Chem. Eng. Data (2014, 59 (9), pp 2834–2849; DOI:  10.1021/je5004675)
the title of this paper is:
Molecular Dynamics and Ab Initio Studies of the Effects of Alkyl / Functional Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-Based [Tf2N ] Ionic Liquids
{see link}
incoming MSc Defense:
Mrs. L. Tohidifar; Sep. 21, 2014; 11:00 
Mrs. S. Naderloo; June 18, 2014; 11:00 
Mrs. N. Kalantari; June 21, 2014; 15:30
Congratulations to Mrs. L. Tohidifar for successful in the PhD exam;


Mr. A. R. Keshavarz successfully passed the defense from his MSc thesis on September 22 in IASBS. Congratulations to Alireza!
Mr. M. Aziznezhad (the MSc student of me in IASBS) successfully passed the defense from his thesis on April 16. Congratulations to Mohammad!


First paper of Mr. H. Mosaddeghi (the PhD student joint from IUT with me as co-advisor) published online 9 November 2012 in the J. Chem. Phys.
(J. Chem. Phys., 2012, 137, 184703)
the title of this paper is:
Simulations of structural and dynamic anisotropy in nano-confined water between parallel graphite plates
{see link}

Our three abstracts accepted for oral presentations in 15thIranian Physical Chemistry Conference in Tehran university, Tehran, Iran, Sept. 3-6, 2012.

Mr. M. Fakhraei (the MSc student joint with Dr. B. Najafi in IUT) successfully passed the defense from his thesis on Feb. 28. Congratulations to Mostafa!


Our new  paper in Phys.Chem.Chem.Phys.  (PCCP, 2011, 13, 8826-8837) published on the web 31st March 2011;
the title of this paper is:    Molecular dynamics simulations of the structure and transport properties of tetra-butylphosphonium amino acid ionic liquids
{see link}
ِDr. Kowsari as a speaker on
The 5th National Seminar of Chemistry & Environment,
Shahid Chamran Ahvaz University, Ahvaz, Iran, December 21 2011
the title of that oral presentation is:    
Room Temperature Ionic Liquids as Green Solvents: A Molecular Dynamics Study
MH Kowsari-picture

Dr. Mohammad Hossein Kowsari

Assistant Professor of Physical Chemistry,
Department of Chemistry,
Center for Research in Climate Change and Global Warming (CRCC),
Institute for Advanced studies in Basic Sciences (IASBS),
P. O. Box 45195–1159, Gava Zang Street, Zanjan, Iran

My CV [CV in english.pdf] [CV in persian.pdf]


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

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

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

Postdoctoral fellow, IASBS (Oct 2010 – Feb 2011)

Assistant Professor, IASBS (Feb 2011 – present)


Contact Information

Email: mhkowsari@iasbs.ac.ir    &   mohammad.kowsari@gmail.com
Tel:  (+98) 24 3315 3207
(+98) 24 3315 3232
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, 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.