| 21 | Architectural design of 2D covalent organic frameworks (COFs) for pharmaceutical pollutant removal | حیدر رئیسی,افسانه قهاری,سجاد اخضری | Npj clean water | 2024 |
| 22 | Ionic liquids and Graphene: The ultimate combination for High-Performance supercapacitors | حیدر رئیسی,افسانه قهاری | Journal of Molecular Liquids | 2024 |
| 23 | Architectural design of anode materials for superior alkali‑ion (Li/ Na/K) batteries storage | حیدر رئیسی,افسانه قهاری | Scientific Reports | 2024 |
| 24 | Selective detection of food contaminants using engineered gallium-organic frameworks with MD and metadynamics simulations | حیدر رئیسی,افسانه قهاری,سمیه همسایگان | Scientific Reports | 2024 |
| 25 | Enhanced Antibiotic Pollutant Capture: Coupling Carbon Nanotubes with Covalent Organic Frameworks | حیدر رئیسی,افسانه قهاری | Journal of Physical Chemistry C | 2024 |
| 26 | Exploring the potential use of natural polymers to enhance the performance of MXene/MOF-5 nanocarrier in loading and co-loading of doxorubicin and curcumin | حیدر رئیسی,علی بینا,آمنه زابلی ارباب دین محمد | Polymer bulletin | 2023 |
| 27 | A strategy to improve the adsorption capacity of OPs-dye pollutants from the aqueous environment using adsorbents based on 2D transition metal carbides V2CTx | َAli Bina | Applied Water Science | 2024 |
| 28 | Adsorption Efficiency of Carbon Materials for the Removal of Organic Pollutants: DDT from Aqueous Solution | Sedigheh Abdollahi,ameneh zaboli arbab din mohamad | Journal of Physical Chemistry B | 2023 |
| 29 | Design of a hydroxy channel based on the selectivity of water permeation via ions exclusion | afsaneh ghahari | Npj clean water | 2023 |
| 30 | Molecular mechanism of drug transport and release through zeolitic imidazole framework nanospheres for versatile drug delivery applications | _ | Journal of Molecular Liquids | 2023 |
| 31 | Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery | seyede leila Razavi Khoosfi | Scientific Reports | 2023 |
| 32 | Graphene Oxide Hosting a pH-Sensitive Prodrug: An In Silico Investigation of Graphene Oxide-Based Nanovehicle toward Cancer Therapy | ameneh zaboli arbab din mohamad | ACS Applied Bio Materials | 2023 |
| 33 | Phosphatidylcholine in the tear film of the eye: enhanced topical delivery of fluorometholone to the eye | Gholamreza Jafari,Ali Saberinasab | Inorganic Chemistry Communications | 2023 |
| 34 | Exploring the potential of deep eutectic solvents for extracting bioactive compounds from tea: Insights from molecular dynamics simulations | malihe kohani sharif,ameneh zaboli arbab din mohamad,Hassan Hashemzadeh | Journal of Molecular Liquids | 2023 |
| 35 | A strategy toward therapeutic improvement of electric feld-sensitive gemcitabine prodrugs in 2D metal–organic frameworks in view of their structure and interactions | Abdul Raqib Haqyar,Hassan Hashemzadeh | Inorganic Chemistry Communications | 2022 |
| 36 | Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment | seyede leila Razavi Khoosfi | Npj clean water | 2022 |
| 37 | Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters | afsaneh ghahari | Npj clean water | 2022 |
| 38 | A new insight into the transfer and delivery of anti- SARS-CoV-2 drug Carmofur with the assistance of graphene oxide quantum dot as a highly efficient nanovector toward COVID-19 by molecular dynamics simulation† | _ | RSC Advances | 2022 |
| 39 | On the role of alkanethiol Au complex in the formation of gold deposits; an in-silico approach | Ahmad Haghi | Chemical Geology | 2022 |
| 40 | Assessment of two-dimensional materials on the biological membrane permeability of Epirubicin anti-cancer drug | ameneh zaboli arbab din mohamad,roghayyeh yaghoubi | Applied Surface Science | 2022 |
