Publications by authors named "Jafar Azamat"

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The CH/CO Gas Mixture Separation Using the Graphene, SiC, and BN Nanochannels: A Comprehensive Computational Approach.
Jafar Azamat, Mahdi Alizadeh, Nima Ajalli

ACS Omega· August 2025

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Borophene based quasi planar nanocluster for ethanol, isobutanol, and acetone sensing: A first principle study.
Nima Ajalli, Forough Rezaie, Saeedeh Kamalinahad, Jafar Azamat

J Mol Graph Model· May 2025

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A comparative study on penetration mechanisms of drug-loaded carbon and boron nitride nanotubes through biological membranes by steered molecular dynamics simulations.
Soroush Ziaei, Babak Rashtbari, Jafar Azamat, Hamid Erfan-Niya

J Biomol Struct Dyn· November 2024

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Atomistic understanding on desalination performance of pristine graphenylene nanosheet membrane at high applied pressures.
Mostafa Jahangirzadeh, Negin Karimzadeh Bajgiran, Sima Majidi, Jafar Azamat, Hamid Erfan-Niya

J Mol Graph Model· November 2024

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Atomistic understanding of TiC MXene membrane performance for separation of nitrate ions from aqueous solutions.
Zahra Tavakkoli, Peyman Mohammad Valizadeh Maleki, Jafar Azamat, Esmaeil Zaminpayma, Hamid Erfan-Niya

J Mol Graph Model· July 2024

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Understanding the performance of RHO type zeolite membrane for CH/N separation based on molecular dynamics and deep neural network methods.
Fatemeh Ghasemi, Mahdi Alizadeh, Jafar Azamat, Hamid Erfan-Niya

J Mol Graph Model· March 2024

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A computational investigation of DMSO/water separation through functionalized GO multilayer nanosheet membrane using molecular dynamics simulation and deep neural network model for membrane performance prediction.
Mahdi Alizadeh, Abolfazl Hasanzadeh, Nima Ajalli, Jafar Azamat

Chemosphere· February 2024

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Corrigendum to "Efficient water desalination through mono and bilayer carbon nitride nanosheet membranes: Insights from molecular dynamics simulation" [J. Mol. Graph. Model. 110 (2022) 108059].
Negin Karimzadeh, Jafar Azamat, Hamid Erfan-Niya

J Mol Graph Model· January 2024

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Highly efficient helium purification through a dual-membrane system: insights from molecular dynamics simulations.
Siamak Pakdel, Hamid Erfan-Niya, Jafar Azamat, Amir Hasanzadeh

Phys Chem Chem Phys· November 2023

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Understanding the performance of graphdiyne membrane for the separation of nitrate ions from aqueous solution at the atomistic scale.
Sima Majidi, Hamid Erfan-Niya, Jafar Azamat, Eduardo R Cruz-Chú, Jens Honoré Walther

J Mol Graph Model· January 2023

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Efficient separation of He/CH mixture by functionalized graphenylene membranes: A theoretical study.
Siamak Pakdel, Hamid Erfan-Niya, Jafar Azamat

J Mol Graph Model· September 2022

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A theoretical investigation into the effects of functionalized graphene nanosheets on dimethyl sulfoxide separation.
Nima Ajalli, Mahdi Alizadeh, Abolfazl Hasanzadeh, Alireza Khataee, Jafar Azamat

Chemosphere· June 2022

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Efficient water desalination through mono and bilayer carbon nitride nanosheet membranes: Insights from molecular dynamics simulation.
Negin Karimzadeh, Jafar Azamat, Hamid Erfan-Niya

J Mol Graph Model· January 2022

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Efficient Removal of Heavy Metals from Aqueous Solutions through Functionalized γ-Graphyne-1 Membranes under External Uniform Electric Fields: Insights from Molecular Dynamics Simulations.
Sima Majidi, Hamid Erfan-Niya, Jafar Azamat, Eduardo R Cruz-Chú, Jens Honore Walther

J Phys Chem B· November 2021

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Molecular insights into water desalination performance of pristine graphdiyne nanosheet membrane.
Nasrin Banan Baghbani, Jafar Azamat, Hamid Erfan-Niya, Sima Majidi, Leila Khazini

J Mol Graph Model· December 2020

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Molecular Dynamics Simulation Study of the HIV-1 Protease Inhibit ion Using Fullerene and New Fullerene Derivatives of Carbon Nanostructures.
Abolfazl Barzegar, Esmail Naghizadeh, Mostafa Zakariazadeh, Jafar Azamat

Mini Rev Med Chem· August 2017

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Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane.
Alireza Khataee, Golchehreh Bayat, Jafar Azamat

J Mol Graph Model· January 2017

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Molecular dynamics simulations of trihalomethanes removal from water using boron nitride nanosheets.
Jafar Azamat, Alireza Khataee, Sang Woo Joo

J Mol Model· April 2016

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Molecular dynamics simulation of non-covalent single-walled carbon nanotube functionalization with surfactant peptides.
Abolfazl Barzegar, Alireza Mansouri, Jafar Azamat

J Mol Graph Model· March 2016

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Removal of a hazardous heavy metal from aqueous solution using functionalized graphene and boron nitride nanosheets: Insights from simulations.
Jafar Azamat, Batoul Shirforush Sattary, Alireza Khataee, Sang Woo Joo

J Mol Graph Model· September 2015

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Study of thermodynamic properties of solution of ampicillin sodium in methanol at T = 298.15 k.
Jafar Azamat, Jaber Jahanbin Sardroodi

Acta Chim Slov· May 2015

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Removal of trihalomethanes from aqueous solution through armchair carbon nanotubes: a molecular dynamics study.
Jafar Azamat, Alireza Khataee, Sang Woo Joo, Binfeng Yin

J Mol Graph Model· April 2015

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Separation of a heavy metal from water through a membrane containing boron nitride nanotubes: molecular dynamics simulations.
Jafar Azamat, Alireza Khataee, Sang Woo Joo

J Mol Model· October 2014

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Functionalized graphene as a nanostructured membrane for removal of copper and mercury from aqueous solution: a molecular dynamics simulation study.
Jafar Azamat, Alireza Khataee, Sang Woo Joo

J Mol Graph Model· September 2014

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