Masumeh Foroutan

1. Adsorption of gases in acetate functionalized silica: Experimental and Monte Carlo molecular simulation study

Karimi Somayeh, Alizadeh Sahraei Abolfazl, Khodadadi Abbasali, Foroutan Masumeh, Hedlund Jonas, Larachi Faical, Mortazavi Yadallah (2025)., SEPARATION AND PURIFICATION TECHNOLOGY, 363(1873-3794), 131958.

2. Investigation wettability of borophene surface: A reactive molecular dynamics simulation approach

Foroutan Masumeh, Sababkar Mahnaz, Mostafavi Bavani Borhan (2025)., COMPUTATIONAL MATERIALS SCIENCE, 251(1879-0801), 113747.

1. Investigating the nano-bubbles aggregation in two-phase systems: A molecular dynamics study

Foroutan Masumeh, حمزه جونقانی مریم, Amini Ravandi Saeedeh (2024)., JOURNAL OF MOLECULAR LIQUIDS, 414(1873-3166), 125985.

2. Exploring hydrophobicity or hydrophilicity of borophene surface via reactive molecular dynamics simulation

Foroutan Masumeh, Sababkar Mahnaz, Mostafavi Bavani Borhan (2024)., Scientific Reports, 14(1).

3. Multiscale modeling of unfolding and bond dissociation of rubredoxin metalloprotein

Sheikhzadeh Aliakbar, Safaei Mohammad, Fadaei Naeini Vahid, Baghani Mostafa, Foroutan Masumeh, Baniassadi Majid (2024)., JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 129(108749), 108749.

1. Fullerenes containing water molecules: a study of reactive molecular dynamics simulations

Foroutan Masumeh, بوداغی احمد, Ali Balazadeh Mahtab (2023)., PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25(47), 32493-32502.

2. Introducing Structures from Hexagonal Borophene to Nitrophene and Their Thermal Conductivity Investigation Using a Reactive Molecular Dynamics Simulation

Farahani Atefeh, Foroutan Masumeh, جمشیدی مسعود, Sababkar Mahnaz, بوداغی احمد (2023)., LANGMUIR, 39(39), 14015-14024.

3. Effects of functionalization and silane modification of hexagonal boron nitride on thermal/mechanical/morphological properties of silicon rubber nanocomposite

شاه ابادی فراهانی عاطفه, Jamshidi Masoud, Foroutan Masumeh (2023)., Scientific Reports, 13(1).

4. Wettability of Tetrahexcarbon: MD, DFT, and AIMD Approaches

Torabi Rad Morteza, Foroutan Masumeh (2023)., LANGMUIR, -(0743-7463).

5. Improving Thermal/Electrical Properties of Silicone Rubber Nanocomposite Using Exfoliated Boron Nitride Nano Sheets Made by an Effective/Novel Exfoliating Agent

Farahani Atefe, Jamshidi Masoud, Foroutan Masumeh (2023)., MATERIALS & DESIGN, 111935(0264-1275), 111935.

6. Investigating the dynamic behavior of the nano-bubble in two-phase systems of argon and water: A molecular dynamics simulation approach

حمزه جونقانی مریم, Foroutan Masumeh (2023)., Results in Engineering, 17(2590-1230), 100977.

7. Study of bubble nucleation on platinum surface using molecular dynamics simulation

Amini Ravandi Saeedeh, Foroutan Masumeh (2023)., 9th International Congress on Nanoscience & Nanotechnology (ICNN2022), 1-2 March, Tehran, Iran.

8. Wettability of borophene surface: A reactive molecular dynamics simulation

Sababkar Mahnaz, Foroutan Masumeh (2023)., 9th International Congress on Nanoscience & Nanotechnology (ICNN2022), 1-2 March, Tehran, Iran.

1. Controlled hydrophilization of black phosphorene: a reactive molecular dynamics simulation approach

Foroutan Masumeh, Mostafavi Bavani Borhan, بوداغی احمد (2022)., PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24(44), 27532-27547.

2. Structural and dynamical characterization of water on Ti2C MXene surface: a molecular dynamics approach

Saayed Doaa, Foroutan Masumeh (2022)., Journal of the Iranian Chemical Society, 20(2), 327-338.

3. Liquefaction of water on the hydrophobic surface of black phosphorene: A reactive molecular dynamics simulation

Foroutan Masumeh, Mostafavi Bavani Borhan, بوداغی احمد (2022)., JOURNAL OF MOLECULAR LIQUIDS, 364(1873-3166), 119947.

4. Decisive structural elements in water and ion permeation through mechanosensitive channels of large conductance: insights from molecular dynamics simulation

Fadaei Naeini Vahid, Baniassadi Majid, Foroutan Masumeh, Remond Yve, George Daniel (2022)., RSC Advances, 12(28), 17803-17816.

5. Unraveling Flow Separation at the Water–Carbon Nanotube Interface: An Atomic-Scale Overview by Molecular Dynamics Simulation

Foroutan Masumeh, Fadaei Naeini Vahid, Ali Balazadeh Mahtab (2022)., LANGMUIR, -(1520-5827).

6. Investigation of the wettability of chemically heterogeneous smooth and rough surfaces using molecular dynamics simulation

بوداغی احمد, Foroutan Masumeh (2022)., JOURNAL OF MOLECULAR LIQUIDS, 348(0167-7322), 118017.

7. Molecular Dynamics Study of the Graphene/Ionic Liquid Interface

حمزه جونقانی مریم, Foroutan Masumeh (2022)., 23 RD Iranian Conference on Physical Chemistry, 12-13 January, Kerman, Iran.

8. Anisotropic wetting characteristics of water droplet on phosphorene: A molecular dynamics simulation approach

Foroutan Masumeh, Mostafavi Bavani Borhan (2022)., 23 RD Iranian Conference on Physical Chemistry, 12-13 January, Kerman, Iran.

9. Effects of Water on the Formation and the Stability of Interfacial Nano-bubble: A Molecular Dynamic Simulation

حمزه جونقانی مریم, Foroutan Masumeh (2022)., 23 RD Iranian Conference on Physical Chemistry, 12-13 January, Kerman, Iran.

10. Wettability of Penta-Graphene: A Molecular Dynamics Simulation Approach

Torabi Rad Morteza, Foroutan Masumeh (2022)., Journal of Physical Chemistry C, -(-).

1. A V(iii)-induced metallogel with solvent stimuli-responsive properties: structural proof-of-concept with MD simulations

Sedghi Niya Sima, Soleimannejad Janet, Foroutan Masumeh, ابراهیمی مینا, فدایی نایینی وحید (2021)., RSC Advances, 11(58), 36801-36813.

2. High-Performance Biomimetic Water Channel: The Constructive Interplay of Interaction Parameters and Hydrophilic Doping Levels

Ebrahimy Mina, Foroutan Masumeh (2021)., JOURNAL OF PHYSICAL CHEMISTRY B, 125(41), 11566-11581.