About me :

Ph.D Physical Chemistry

Department of Chemistry

• Isfahan University of Technology (IUT)
• Nahavand University
• Sayyed Jamal University

Web site:

M. Sohrabi-Mahboub

Other IDs:


Scopus Author ID: 53664517000

Researcher ID: Q-7851-2017

Mahdi Sohrabi Mahboub, pictured here in 2016, received his BSc. degree in Pure Chemistry from Bu-Ali Sina University in 2006, his M.Sc. degree in Physical Chemistry from Isfahan University of Technology (IUT) in 2010, and his Ph.D. in Physical Chemistry (Thermodynamic and Statistical Mechanics) at IUT in 2016.

Sohrabi Mahboub's primary area of research is Thermodynamic and Statistical Mechanics and also Molecular Thermodynamic modeling of dense fluids, ionic liquids, and other systems. Our research involves theoretical studies of liquids, both compressed liquids and dense supercritical fluids, ionic liquids, chain fluids using the statistical mechanics' approaches such as thermodynamic perturbation theories.

Statistical mechanics is a major theoretical predictive tool that we use for the understanding of the behavior of simple and complex systems.

Our secondary area of research is fully focused on the theoretical and computational development of algorithms, models, and methods for chemistry, biochemistry, and materials. Theoretical and Computational chemistry, as one of the fields of study in chemistry, is also used to investigate the chemical and physical properties of the chemical and biochemical systems. Computer simulation is also used to study in solving chemical problems using the fundamentals of statistical mechanics, quantum mechanics, and thermodynamics.

In our research group, we are interested in developing and implementing the computational approach on the basis of quantum chemistry and thermodynamics and statistical mechanics principles. We try to study the physicochemical properties of biological molecules by applying our experience working with programs such as Gaussian, ADF, packmol, NAMD and VMD in the framework of quantum and statistical mechanics theories.

Educations :

• Ph.D. Physical Chemistry, Isfahan University of Technology, 2016
• M.Sc. Physical Chemistry, Isfahan University of Technology, 2010
• B.Sc. Pure Chemistry, Bu-Ali Sina University, 2006

Research Interests :

• Thermodynamic and Statistical Mechanics
• Theoretical and Computational Chemistry
• Quantum Chemistry
• Molecular Dynamics Simulation