1
HOUSHMAND DAVOUD ، Rashidi Fariborz ، ، Hajilari Meysam,
"Enhancement of CO2 capture in post combustion process using actived carbon modified by amino acids",
Scientific Reports,
vol. ,
no. 10569,
pp.21-30,
2026.
2
,
"Application of Fluoropolymer Nanocomposite Membranes for Gas Separation",
Nanoscale and Advanced Materials (Nsam),
vol. 2,
no. 4,
pp.321-344,
2025.
3
ALMUSAWI SAIFALI ، Rashidi Fariborz ،,
"Novel insights into electrical double layers in carbonate reservoirs under low-salinity water injection using molecular dynamics simulation",
Scientific Reports,
vol. 15,
no. 1,
pp.1-16,
2025.
4
NABAVI HAMEDANI SALEHEH AL-SADAT ، ، DEHGHANI KAMRAN,
"Photothermal high-entropy materials: A review",
Sustainable Materials and Technologies,
vol. 43,
no. 1,
pp.1-39,
2025.
5
KHALIFE HADI ، REZAEI MILAD ،,
"Durable superhydrophobic PTFE-rich/Acrylic rGO Loaded Self-lubricating Coating to Advance Wear and Long-time Corrosion: Experimental studies and molecular dynamics simulation of friction and corrosive agents penetration",
Colloids and Surfaces A-Physicochemical and Engineering Aspects,
vol. 713,
no. 136518,
pp.1-16,
2025.
6
KARAMI KIYAN ، ، DEHGHANI KAMRAN ، HEMMATI SAZNAGHI MARYAM ، Reza Riahifar,
"Using Spinel (CrNiFeMnZn)3O4 Nanoparticles HEOs As Free Cobalt Anode in Ion-Lithium Batteries",
Journal of Energy Storage,
vol. 101,
no. 113823,
pp.1-9,
2024.
7
GHOLIZADEH ATEFEH ، ، HALLADJ ROUEIN,
"Assessing the interaction between dodecylphosphocholine and dodecylmaltoside mixed micelles as drug carriers with lipid membrane: A coarse-grained molecular dynamics simulation",
Acs Omega,
vol. 39,
no. 9,
pp.40433-40445,
2024.
8
Saeid Sinehbaghizadeh ، Agus Saptoro ، ، Amir H Mohammadi,
"Understanding the influences of different associated gas impurities and the kiinetic modelling of biogas hydrate formation at the molecular scale",
Energy,
vol. 282,
no. 128893,
pp.1-9,
2023.
9
SAMADI ZEYNAB ، ، Rashidi Fariborz ، GHALAMI CHOOBAR BEHNAM ، MODARRESS HAMID,
"Chain length dependence of structural and transport properties of single lithium-ion conducting polymer electrolytes: A molecular dynamics simulation study",
Solid State Ionics,
vol. 398,
no. 116256,
pp.1-11,
2023.
10
Saeid Sinehbaghizadeh ، Agus Saptoro ، ، Amir Mohammadi,
"Molecular dynamics simulations of the stability and dissociation of structure-H clathrate hydrates in the presence of different amino acids, gas species and sH hydrate formers",
Energy and Fuels,
vol. 37,
no. 14,
pp.10550-10566,
2023.
11
Saeid Sinehbaghizadeh ، Aqus Saptoro ، ، Parisa Naeiji ، Angnes Ngieng Tze Tiong ، Ami H. Mohammadi,
"A comprehensive review on molecular dynamics simulation studies of phenomena and characteristics associated with clathrate hydrates systems",
Fuel,
vol. 338,
no. 127201,
pp.1-38,
2023.
12
Azadeh Kordzadeh ، Mahdi Zarif ،,
"Molecular dynamics insight of interaction between the functionalized-carbon nanotube and cancerous cell membrane in doxorubicin delivery",
Computer Methods and Programs In Biomedicine,
vol. 230,
no. 107332,
pp.1-10,
2022.
13
MOLASHAHI MARYAM ، MODARRESS HAMID ، NASERNEJAD BAHRAM ، ، GHALAMI CHOOBAR BEHNAM,
"Structural and Transport Properties of Novel High-Transference Number Electrolytes Based on Perfluoropolyether-block-Poly(ethylene oxide) for Application in Lithium-Ion Batteries: A Molecular Dynamics Simulation Study",
Macromolecules,
vol. 55,
no. 23,
pp.10556-10575,
2022.
14
KAVYANI BAGHBADERANI SAJJAD ، ، Mahdi Zarif,
"Effect of temperature, pH, and terminal groups on structural properties of carbon nanotube-dendrimer composites: A coarse-grained molecular dynamics simulation study",
Journal of Molecular Liquids,
vol. 363,
no. 119825,
,
2022.
15
Saeid Sinehbaghizadeh ، Agus Saptoro ، ، Angnes Ngieng Tze Tiong ، Amir H. Mohammadi,
"Molecular Dynamics Simulation Studies on the Stability and Dissociation of Clathrate Hydrates of Single and Double Greenhouse Gases",
Energy and Fuels,
vol. 36,
no. 15,
pp.8323-8339,
2022.
16
ARABIAN TAHEREH ، ، HALLADJ ROUEIN,
"Molecular dynamics simulation study of doxorubicin adsorption on functionalized carbon nanotubes with folic acid and tryptophan",
Scientific Reports,
vol. 11,
no. 24210,
pp.1-11,
2021.
17
ABBASI ALI ، ، DABIR BAHRAM,
"CellSys: An open-source tool for building initial structures for bio-membranes and drug-delivery systems",
Journal of Computational Chemistry,
vol. 43,
no. 5,
pp.331-339,
2021.
18
KHOSHBAKHT MARVI PARHAM ، ، HALLADJ ROUEIN,
"Molecular Dynamics Assessment of Doxorubicin Adsorption on Surface-Modified Boron Nitride Nanotubes (BNNTs)",
Journal of Physical Chemistry B,
vol. 125,
no. 48,
pp.13168-13180,
2021.
19
MAHDIPOOR HAMID REZA ، Ensieh Ganji Babakhani ، HALLADJ ROUEIN ، Jafar Sadeghzadeh Ahari ،,
"Post-combustion CO2 capture using nontoxic iron-based amino-MIL-101(Fe)",
Inorganic Chemistry Communications,
vol. 133,
no. 0,
pp.108950-108953,
2021.
20
MAHDIPOOR HAMID REZA ، HALLADJ ROUEIN ، Ensieh Ganji Babakhani ، ، Jafar Sadeghzadeh Ahari,
"Adsorption of CO2, N2 and CH4 on a Fe-based metal organic framework, MIL-101(Fe)-NH2",
Colloids and Surfaces A-Physicochemical and Engineering Aspects,
vol. 619,
no. 0,
pp.126554-126563,
2021.
21
GHALAMI CHOOBAR BEHNAM ، MODARRESS HAMID ، HALLADJ ROUEIN ،,
"Electrodeposition of lithium metal on lithium anode surface, a simulation study by: Kinetic Monte Carlo-embedded atom method",
Computational Materials Science,
vol. 192,
no. 110343,
pp.1-12,
2021.
22
MAHDIPOOR HAMID REZA ، HALLADJ ROUEIN ، Ensieh Ganji Babakhani ، ، Jafar Sadeghzadeh Ahari,
"Synthesis, characterization, and CO2 adsorption properties of metal organic framework Fe-BDC",
Rsc Advances,
vol. 11,
no. 0,
pp.5192-5203,
2021.
23
HAGHKHAH HASTY ، GHALAMI CHOOBAR BEHNAM ،,
"Effect of salt concentration on properties of mixed carbonate-based electrolyte for Li-ion batteries: a molecular dynamics simulation study",
Journal of Molecular Modeling,
vol. 26,
no. 8,
pp.1-15,
2020.
24
، Mahdi Zarif,
"TiO2 nano-particle effect on the chemical and physical properties of Ni-P-TiO2 nanocomposite electroless coatings",
Journal of Nanostructures,
vol. 10,
no. 2,
pp.415-423,
2020.
25
GHASEMNEJAD AFSHAR EHSAN ، ، Mahdi Zarif ، MODARRESS HAMID,
"Effect of side branch on gas separation performance of triptycene based PIM membrane: A molecular simulation study",
Polymer Testing,
vol. 83,
no. 0,
pp.1-12,
2020.
26
LANJAN AMIRMASOUD ، GHALAMI CHOOBAR BEHNAM ،,
"Promoting lithium-ion battery performance by application of crystalline cathodes Li x Mn1?z Fe z PO4",
Journal of Solid State Electrochemistry,
vol. 24,
no. 1,
pp.157-171,
2019.
27
LANJAN AMIRMASOUD ، GHALAMI CHOOBAR BEHNAM ،,
"First principle study on the application of crystalline cathodes Li2Mn0. 5TM0. 5O3 for promoting the performance of lithium-ion batteries",
Computational Materials Science,
vol. 173,
no. 0,
pp.1-7,
2019.
28
GHALAMI CHOOBAR BEHNAM ، MODARRESS HAMID ، HALLADJ ROUEIN ،,
"Multiscale Investigation on Electrolyte Systems of [(Solvent + Additive) + LiPF6] for Application in Lithium-Ion Batteries",
Journal of Physical Chemistry C,
vol. 123,
no. 0,
pp.21913-21930,
2019.
29
KORDZADEH AZADEH ، ، Mahdi Zarif ، MODARRESS HAMID,
"Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and quantum mechanics calculation",
Journal of Molecular Graphics and Modelling,
vol. 88,
no. 0,
pp.11-22,
2018.
30
KAVYANI BAGHBADERANI SAJJAD ، DADVAR MITRA ، MODARRESS HAMID ،,
"Molecular Perspective Mechanism for Drug Loading on Carbon nanotube-Dendrimer: A Coarse grained Molecular Dynamics Study",
Journal of Physical Chemistry B,
vol. 122,
no. 33,
pp.7956-7969,
2018.
31
YOUSEFPOUR SHIRSAVAR ABBAS ، ، Goharpey Fatemeh ، MODARRESS HAMID,
"Effect of drug amlodipine on the charged lipid bilayer cell membranes DMPS and DMPS+ DMPC: a molecular dynamics simulation study",
European Biophysics Journal With Biophysics Letters,
vol. 47,
no. 8,
pp.939-950,
2018.
32
YOUSEFPOUR SHIRSAVAR ABBAS ، MODARRESS HAMID ، Goharpey Fatemeh ،,
"Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation study",
Journal of Molecular Modeling,
vol. 24,
no. 0,
pp.67-77,
2018.