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Aoly Ur Rahman

Grad Research Asst Fellowship
Faculty of Engineering - Electrical & Computer Engineering Dept

Pronouns: He/Him

Contact Overview Publications

Contact

Grad Research Asst Fellowship
Faculty of Engineering - Electrical & Computer Engineering Dept

Email
aolyur@ualberta.ca
Availability
8:00PM to 9:30PM (Friday to Sunday)

Overview

Area of Study / Keywords

Nanomaterials Spintronics Materials Solid State Device Nanotechnology Computational Materials Science

About

Investigating how materials behave at the atomic scale to design next-generation nanomaterials for sustainable applications.

Featured Publications

Plausibility of transition metals (Cr and Mo) doped aluminium nitride nanotubes as electrode materials for GABA sensors: A DFT inquisition

Noor Ahammad, Aoly Ur Rahman, Bonganur Khan, Md Masud Alam, Md. Kabir Uddin Sikder

Molecular Simulation. 2026 June; 10.1080/08927022.2026.2666733

Exploring the sensing behavior of 2D Xenes (X = C, Si, and Ge) to diagnose thyroid dysfunction: A DFT study

Ishrat Jahan Nirjona, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder

AIP Advances. 2026 June; 10.1063/5.0327012

A DFT insight into the Ta-doped GaX nanotubes (where X=N and P) to develop a non-invasive breast cancer sensing material

Eshrat Ashraf Ema, Noor Ahammad, Md. Rahamat Ullah Nadim, Aoly Ur Rahman, Md. Kabir Uddin Sikder

Next Nanotechnology. 2026 June; 10.1016/j.nxnano.2026.100549

Enhance the stability and electronic performance of Ga10X10 (where X = N & P) nanotubes through transition metals (V, Nb, and Ta) doping: A first-principles study

Eshrat Ashraf Ema, Aoly Ur Rahman, Bonganur Khan, Md Masud Alam, Md. Kabir Uddin Sikder

Materials Today Quantum. 2026 June; 10.1016/j.mtquan.2026.100067

A DFT Investigation on the Adsorption of Regular and Phosphorylated-Amino Acids on BODIPY

Marjan Asemani, Syed Mahedi Hasan, Aoly Ur Rahman, Nusrat Zahan Tanwee

BioNanoScience. 2026 May; 10.1007/s12668-026-02563-z

A Computational Investigation on the Structural, Thermodynamic, Electrical, Magnetic, and Optical Properties of Transition Metal (Cr & Mo)-Doped Aluminum Nitride Nanotubes Using Density Functional Theory

Noor Ahammad, Aoly Ur Rahman, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

Nano. 2026 March; 10.1142/S1793292025500730

A DFT Assessment on the Structural, Thermodynamic, and Electrical Properties of Transition Metal‐Doped Gallium Arsenide Nanoclusters (GanAsn, Where n = 4, 5, and 6)

Suhita Kar Chowdhury, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder

International Journal of Ceramic Engineering & Science. 2026 March; 10.1002/ces2.70046

First-principles study of diabetes-associated VOCs detection from breath using nitride nanotubes

Aoly Ur Rahman, D. M. Saaduzzaman, Md. Kazi Rokunuzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

RSC Advances. 2026 January; 10.1039/D6RA02414A

Impact of Ferromagnetic Transition Metals on Different Geometries of Boron Nitride Nanostructures: A DFT Investigation

Md Masud Alam, Aoly Ur Rahman, Bonganur Khan, Noor Ahammad, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

Advances in Materials Science and Engineering. 2026 January; 10.1155/amse/3594916

Feasibility of Group VB Transition Metals Doped Gallium Nitride Nanotubes for Breast Cancer Detection: A DFT Investigation

Bonganur Khan, Aoly Ur Rahman, Md Masud Alam, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

ChemistrySelect. 2026 January; 10.1002/slct.202505789

Ag‐Decorated AlN Nanotubes as Promising Breast Cancer Sensing Material: A DFT Study

Anonya Roy Shorna, Aoly Ur Rahman, Bonganur Khan, Md Masud Alam, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

Journal of Chemistry. 2026 January; 10.1155/joch/8787800

Impact of novel transition metals (Os, Ir, Pt, and Au) on C24 and its isoelectronic B12N12 nanocages: A comparative DFT investigation

Mimi Saha Katha, Aoly Ur Rahman, Md. Ahsan Habib, Eshrat Ashraf Ema, Mst. Tania Khatun, Bonganur Khan, Md Masud Alam, Md. Kabir Uddin Sikder

Journal of Alloys and Compounds Communications. 2025 December; 10.1016/j.jacomc.2025.100130

Influences of homogenous and heterogenous dopants on structural, electric, and thermodynamic properties of the gallium arsenide (GaAs) nanodot: A DFT study

Aoly Ur Rahman, D.M. Saaduzzaman, Syed Mahedi Hasan, Md Kabir Uddin Sikder

Hybrid Advances. 2025 September; 10.1016/j.hybadv.2025.100482

Plausibility of V-doped aluminium nitride nanotubes for breast cancer detection: A DFT investigation

Aoly Ur Rahman, Eshrat Ashraf Ema, Mst. Tania Khatun, Mimi Saha Katha, Md. Mahbubur Rahman Bhuiyan, Md. Kabir Uddin Sikder

Nano Trends. 2025 September; 10.1016/j.nwnano.2025.100134

Early Detection of Lung Cancer with Pd-doped GaAs Nanocluster: A DFT Study

Aoly Ur Rahman, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

BioNanoScience. 2025 August; 10.1007/s12668-025-02091-2

Potentiality of gold-doped small tin clusters as lung cancer detectors: a DFT investigation

Md. Ahsan Habib, Mst. Tania Khatun, Eshrat Ashraf Ema, Mimi Saha Katha, Noor Ahammad, Aoly Ur Rahman, Md. Kabir Uddin Sikder

Journal of Nanoparticle Research. 2025 August; 10.1007/s11051-025-06403-1

A Comparative DFT study on the effect of transition metals (Ru–Ag) on zero-dimensional fullerene and one-dimensional carbon nanotube

Aoly Ur Rahman, Md. Kazi Rokunuzzaman, Mohammad Sadiqur Rahman, Muzzakkir Amin, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

International Journal of Computational Materials Science and Engineering. 2025 June; 10.1142/S2047684125500162

Impact of Transition Metals—Cr, Mn, and Fe Dopants on Graphene‐Like Group‐IV Nanosheets: A DFT Study

Noor Ahammad, Aoly Ur Rahman, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

Advances in Condensed Matter Physics. 2025 January; 10.1155/acmp/4948830

Impact of transition metal dopants (V, Nb, and Ta) on armchair and chiral structured gallium nitride (Ga30N30) nanotubes: A comprehensive DFT study

Bonganur Khan, Aoly Ur Rahman, Md Masud Alam, Noor Ahammad, Md. Alamgir Kabir, Md. Kabir Uddin Sikder

Next Nanotechnology. 2025 January; 10.1016/j.nxnano.2025.100155

Feasibility of transition metal doped boron nitride fullerene as a nanocarrier of anticancer drugs: An insight from DFT

Mimi Saha Katha, Aoly Ur Rahman, Md. Ahsan Habib, Eshrat Ashraf Ema, Bonganur Khan, Mst. Tania Khatun, Md. Kabir Uddin Sikder

Next Nanotechnology. 2025 January; 10.1016/j.nxnano.2025.100189

Designing nitride-derived fullerenes X20N20 (X = B, Al, and Ga) for the effective delivery of the cardiovascular drug felodipine: a DFT study

Aoly Ur Rahman, Md. Kazi Rokunuzzaman, D. M. Saaduzzaman, Mohammad Sadiqur Rahman, Muzzakkir Amin, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

Nanoscale. 2025 January; 10.1039/D5NR03259H

Aluminum-derived nanotubes for lung cancer detection: a DFT inquisition

Scientific Reports. 2025 January; 10.1038/S41598-025-89999-7

Early Diagnosis of Tuberculosis by Analyzing the Breath of Patients: A DFT Insight

Aoly Ur Rahman, Md. Kazi Rokunuzzaman, Muzzakkir Amin, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

Journal of Nanotechnology. 2025 January; 10.1155/jnt/9487892

Potentiality of phosphide-based nanotubes for breast cancer detection: A DFT investigation

Aoly Ur Rahman, D M Saaduzzaman, Syed Mahedi Hasan, Md Kabir Uddin Sikder

Nanotechnology. 2024 September; 10.1088/1361-6528/ad5681

A DFT study of structural, electrical, and thermodynamical properties of Sc, Ti, V doped ring Beryllium Oxide (BeO)n (n = 3–5) nanoclusters

Aoly Ur Rahman, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

AIP Advances. 2024 May; 10.1063/5.0197663

A Relative Study on the Structural and Electric Properties of Pristine and Transition Metals (Pt, Au) Doped Boron Nitride Nanocages: A DFT Insight

Mimi Saha Katha, Aoly Ur Rahman, Md. Ahsan Habib, Eshrat Ashraf Ema, Mst. Tania Khatun, Md. Kabir Uddin Sikder

2024 3rd International Conference on Advancement in Electrical and Electronic Engineering (ICAEEE). 2024 April; 10.1109/icaeee62219.2024.10561676

Dosimetric Comparison of Three-Dimensional Conformal Radiotherapy and Intensity Modulated Radiotherapy in Carcinoma of Lung

Ringkey Islam, Mst. Tania Khatun, Aoly Ur Rahman, Samiul Alim, Md. Abul Hasnat, Md. Kabir Uddin Sikder

2024 3rd International Conference on Advancement in Electrical and Electronic Engineering (ICAEEE). 2024 April; 10.1109/icaeee62219.2024.10561726

A Comparative DFT Investigation on the Structural, Electric, Thermodynamic, and Optical Properties of the Pristine and Various Metals and Nonmetals (Li, Be, B, N, O, and F) Doped Graphene and Silicene Nanosheets

Aoly Ur Rahman, Budrun Neher, Sazzad Hossain, Md. Mahbubur Rahman Bhuiyan, D.M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

Physica B: Condensed Matter. 2024 February; 10.1016/j.physb.2023.415615

Feasibility of nitride-based nanocages for the targeted delivery of ifosfamide: a DFT exploration

Aoly Ur Rahman, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

New Journal of Chemistry. 2024 January; 10.1039/D4NJ02992E

Comparative Inquisition of Primordial and Transition Metals (Cu, Ag, and Au) Doped In4Sb4 Nanocluster: A DFT Study

Tania Khatun, Afsana Lima, Ringkey Islam, Aoly Ur Rahman, Md. Ahsan Habib, Md. Kabir Uddin Sikder

2023 5th International Conference on Sustainable Technologies for Industry 5.0 (STI). 2023 December; 10.1109/sti59863.2023.10464555

Comparative Study on the Structural and Electric Properties of Pristine and Transition Metals (V, Nb, Ta) Doped Gallium Nitride Nanotube: A DFT Investigation

Eshrat Ashraf Ema, Aoly Ur Rahman, Md. Ahsan Habib, Mst. Tania Khatun, Mimi Saha Katha, Md. Kabir Uddin Sikder

2023 5th International Conference on Sustainable Technologies for Industry 5.0 (STI). 2023 December; 10.1109/sti59863.2023.10464703

Feasibility of Implanting Gold-Doped Silicon Nanoclusters (Si<sub>8</sub>) As Electrode For Dopamine Detection: A DFT Investigation

Aoly Ur Rahman, D. M. Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

2023 5th International Conference on Sustainable Technologies for Industry 5.0 (STI). 2023 December; 10.1109/sti59863.2023.10465057

Potential Changes of Physicochemical Properties Due to Transition Metals (Ag, Au) Doping on Stanene Cluster: A First-Principles Investigation

Md. Ahsan Habib, Aoly Ur Rahman, Tania Khatun, Eshrat Ashraf Ema, Mimi Saha Katha, Kabir Uddin Sikder

2023 5th International Conference on Sustainable Technologies for Industry 5.0 (STI). 2023 December; 10.1109/sti59863.2023.10464691

A DFT Investigation on Structural, Electric, and Thermodynamic Properties of Transition Metal (Cr, Mo, and W) Doped in Small Arsenic Cluster (As<sub>15</sub>)

Aoly Ur Rahman, Dewan Mohammad Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

4th International Conference on Sustainable Technologies for Industry 4.0 (STI). 2022 December; 10.1109/sti56238.2022.10103244

Mathematical Models for Tumor Cell Growth Estimation: An Analytical Review

Uparna Singha, Aoly Ur Rahman, Md. Kabir Uddin Sikder

4th International Conference on Sustainable Technologies for Industry 4.0 (STI). 2022 December; 10.1109/sti56238.2022.10103317

A comparative DFT study of structural, electronic, thermodynamic, optical, and magnetic properties of TM (Ir, Pt, and Au) doped in small Tin (Sn<sub>5</sub> &amp; Sn<sub>6</sub>) clusters

Aoly Ur Rahman, Dewan Mohammad Saaduzzaman, Syed Mahedi Hasan, Md. Kabir Uddin Sikder

Phase Transitions. 2022 July; 10.1080/01411594.2022.2080065

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