| A molecular dynamics investigation for predicting the optimum fiber radius and the effect of various parameters on the mechanical properties of carbon nanotube reinforced iron … R Ishraaq, SM Nahid, S Chhetri, O Gautam, AM Afsar Computational Materials Science 174, 109486, 2020 | 12 | 2020 |
| All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes R Ishraaq, S Das Chemical Communications, 2024 | 8 | 2024 |
| Hydrophilic and Apolar Hydration in Densely Grafted Cationic Brushes and Counterions with Large Mobilities R Ishraaq, TS Akash, A Bera, S Das The Journal of Physical Chemistry B 128 (1), 381-392, 2023 | 8 | 2023 |
| All-Atom Molecular Dynamics Simulations of Cationic Polyelectrolyte Brushes in the Presence of Halide Counterions R Ishraaq, S Das Macromolecules 57 (7), 3037-3046, 2024 | 4 | 2024 |
| Hydrogen Bonding Inside Anionic Polymeric Brush Layer: Machine Learning-Driven Exploration of the Relative Roles of the Polymer Steric Effect, Charging, and Type of Screening … A Bera, TS Akash, R Ishraaq, TH Pial, S Das Macromolecules 57 (4), 1581-1592, 2024 | 4 | 2024 |
| A novel theoretical model for predicting the optimum number of layers of multiwall carbon nanotube for reinforcing iron and molecular dynamics investigation of the failure … R Ishraaq, M Rashid, SM Nahid Computational Materials Science 196, 110558, 2021 | 4 | 2021 |
| Combined Machine Learning and Molecular Dynamics Reveal Two States of Hydration of a Single Functional Group of Cationic Polymeric Brushes R Ishraaq, TS Akash, S Das Macromolecules, 2024 | 2 | 2024 |
| Anti-electrophoretic response driven bending-tilting deformation of cationic polyelectrolyte brushes drives massively non-linear electroosmotic transport in brush-grafted … R Ishraaq, S Das | 1 | 2024 |
| All-Atom Molecular Dynamics Simulations of Uncharged Linear Polymer Bottlebrushes: Effect of the Brush Sizes and the Number of Side-Chain Monomers TS Akash, R Ishraaq, S Das Langmuir 40 (6), 2946-2956, 2024 | 1 | 2024 |
| Molecular dynamics simulation for the analysis of mechanical properties and effect of Stone-Wales and bi-vacancy defect on carbon nanotube reinforced iron composites R Ishraaq, S Chhetri, O Gautam, SM Nahid, AM Afsar AIP Conference Proceedings 2324 (1), 2021 | 1 | 2021 |
| A molecular dynamics investigation of mechanical properties of graphene reinforced iron composite and the effect of vacancy defect distance from the matrix-fiber interface R Ishraaq, M Rashid, AM Afsar arXiv preprint arXiv:2010.00274, 2020 | 1 | 2020 |
| Linear Discriminant Analysis Based Machine Learning and All-Atom Molecular Dynamics Simulations for Probing Electroosmotic Transport in Cationic-Polyelectrolyte-Brush-Grafted … R Ishraaq, S Das | | 2024 |
| Massively non-linear increase in electroosmotic transport in nanochannels grafted with cationic polyelectrolyte brushes S Das, R Ishraaq Bulletin of the American Physical Society, 2024 | | 2024 |
| Localized Anionic and Hydrophobic Effects, Multiple Hydration States, and Counterions with Large Mobilities Inside Densely Grafted Cationic Brushes R Ishraaq, TS Akash, A Bera, S Das Bulletin of the American Physical Society, 2024 | | 2024 |
| Behavior of Halide-ion-Screened Cationic Polyelectrolyte Brushes Probed Using All-Atom Molecular Dynamics Simulations S Das, R Ishraaq Bulletin of the American Physical Society, 2024 | | 2024 |
| Role of the Brush Sizes and Sidechain architecture on Linear Polymer Bottlebrushes: an atomistic simulation. TS Akash, R Ishraaq, S Das Bulletin of the American Physical Society, 2024 | | 2024 |
| All-atom molecular dynamics simulations showing the dynamics of small organic molecules in water–solvated polyelectrolyte brush layers LA Smook, R Ishraaq, TS Akash, S de Beer, S Das Physical Chemistry Chemical Physics 26 (39), 25557-25566, 2024 | | 2024 |
| Molecular Investigations of the Electroosmotic Transport in Nanochannels Grafted with Cationic Polymer Chains S Das, R Ishraaq, T Akash Bulletin of the American Physical Society, 2023 | | 2023 |
| Interplay of Local Heating, Nanoconfinement, and Tunable Liquid–Wall Interactions Drive Rapid Imbibition and Pronounced Mixing Between Two Immiscible Liquids R Ishraaq, TH Pial, S Das The Journal of Physical Chemistry Letters 13 (23), 5137-5142, 2022 | | 2022 |
