Majid Moosavi

14PUBLICATIONS
3CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical thermodynamics and energeticsSupramolecular chemistryTheoretical quantum chemistryComputational chemistry
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Publications (14)

|Sep 10, 2026
Enhancing Dicationic IL Performance through Aqueous Binary Mixtures of Mono- and Dicationic ILs: Insights from MD Simulations and DFT Calculations.

|Dec 16, 2025
Ammonium-based deep eutectic solvents for sustainable CO2 capture: insights from DFT, COSMO-RS, and MD simulations.

Zahra Ostadsharif Memar, Majid Moosavi

|Aug 31, 2025
Binary Mixtures of Ionic Liquids to Enhance Dicationic Ionic Liquid Performance: Insights from Molecular Dynamics Simulations and Quantum Mechanics.

Zahra Ostadsharif Memar, Majid Moosavi, Zahra Keyvanfard

|Oct 08, 2024
Comparative assessment of the performance of density functionals and dispersion correction on different properties of dicationic ionic liquids - an ab initio molecular dynamics (AIMD) study.

Zahra Ostadsharif Memar, Majid Moosavi

|Apr 16, 2024
Multiscale modeling of CO2 capture in dicationic ionic liquids: Evaluating the influence of hydroxyl groups using DFT-IR, COSMO-RS, and MD simulation methods.

Mehrangiz Torkzadeh, Majid Moosavi

|Dec 27, 2023
Assessing OPLS-based force fields for investigating the characteristics of imidazolium-based dicationic ionic liquids: A comparative study with AIMD simulations and experimental findings.

Zahra Ostadsharif Memar, Majid Moosavi

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Frequent Collaborators

2 joint publications

Mehrangiz Torkzadeh

2 joint publications

Zahra Ostadsharif Memar

1 joint publications

Hassan Sabzyan