Prof. Dr. Jaber Jahanbin Sardroodi is a distinguished scholar in theoretical and computational physical chemistry, serving as Professor of Physical Chemistry at Azarbaijan Shahid Madani University. His research spans a wide range of topics, integrating molecular simulation, thermodynamics, and quantum chemistry to address complex chemical and biological systems. He leads the Molecular Simulation Lab and the Molecular Science and Engineering Research Group, where his work focuses on molecular dynamics simulations, free energy calculations, solvation processes, and drug–protein interactions. Prof. Sardroodi’s studies also explore deep eutectic solvents, nanomaterials, and molecular mechanisms of pharmaceutical interactions in aqueous and membrane environments. In addition, his research extends to quantum mechanics of many-body systems, density functional theory (DFT), quantum thermodynamics, and open quantum systems, contributing to the understanding of quantum information and thermal engines. His group employs advanced computational tools, including Python, Fortran, and C++, and increasingly integrates artificial intelligence and deep learning techniques into physical chemistry problem-solving. Prof. Sardroodi has authored numerous peer-reviewed publications in high-impact journals such as Scientific Reports, Chemical Engineering Science, and Journal of Molecular Modeling. His research contributes significantly to the advancement of molecular modeling, smart drug delivery systems, and energy materials, reflecting a blend of rigorous theoretical insight and computational innovation in modern chemical science.
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Featured Publications
Barani Pour, S., Jabbarvand Behrooz, N., Jahanbin Sardroodi, J., & Avestan, M. S. (2025). Potential use of deep eutectic solvents based on sugar as green separation media for the acidic gases capture process from the gas mixtures: Molecular dynamics simulation and COSMO-RS insights. Journal of Molecular Modeling.
Jahanbakhsh-Bonab, P., Pazuki, G., Jahanbin Sardroodi, J., & Dehnavi, S. M. (2023). Assessment of the properties of natural-based chiral deep eutectic solvents for chiral drug separation: Insights from molecular dynamics simulation. Physical Chemistry Chemical Physics.
Barani Pour, S., Jahanbin Sardroodi, J., Ebrahimzadeh, A. R., & Pazuki, G. (2023). Investigation of the effect of water addition on intermolecular interactions of fatty acids-based deep eutectic solvents by molecular dynamics simulations. Scientific Reports.
Heidari, S., Esrafili, M. D., & Jahanbin Sardroodi, J. (2023). Li, Na and K storage capacity of a novel 2D graphitic carbon-nitride membrane, C₉N₄: A computational approach. Chemical Physics Letters.
Mousavian, P., Esrafili, M. D., & Jahanbin Sardroodi, J. (2023). Outstanding performance of transition-metal decorated BC₃ nanotubes for high capacity CH₄ storage. Applied Surface Science.