Dr. Shabeer Ahmad Mian
Assistant Professor
Department of Physics | University of Peshawar
About
For more than two decades, my work has brought together computational materials physics, high-performance computing (HPC), Linux systems engineering, and scientific cybersecurity. I apply first-principles electronic structure methods to investigate functional materials for clean energy, catalysis, sensing, and biomedical applications while designing and supporting the HPC and Linux environments that enable advanced computational research.
Beyond scientific research, I have over 20 years of experience developing and administering Linux-based HPC systems, compiling scientific software from source, optimizing parallel computing workflows, and managing secure multi-user research infrastructures. This combination of scientific and technical expertise enables me to bridge computational research with the computing systems on which it depends.
My current research focuses on marine bio-adhesion, hydrogen-producing electrocatalysts, nanomaterials for gas sensing, and nanobiosensors for early cancer detection, in collaboration with researchers across South Korea, China, the United States, and Pakistan. To date, my work has resulted in peer-reviewed publications (14 in Q1, 15 in Q2, and 5 in Q3 journals), a cumulative journal impact factor exceeding 110, supervision of more than 119 undergraduate and postgraduate students, One international USPTO patent.
Professional Experience
2016 — Present
Assistant Professor
Department of Physics, University of Peshawar
Lead computational research group.
BS Program Coordinator. 2020 ~ 2023
Graduate Study Committee. .2021-2023
Supervised PhD/MS/BS students. ~120
2014 — 2016
Assistant Professor
Islamia College University, Peshawar
Asst. Director Higher Studies.
Research Associate ORIC.
2013 — 2014
Post-Doctoral Researcher
Korea Research Institute of Science & Technology (KIST), Seoul, South Korea
2012 — 2013
Post-Doctoral Researcher
Korea Research Institute of Standards and Science (KRISS), Daejeon, South Korea
2007 — 2012
Doctoral Research Fellow (BK21 + KRF)
Pusan National University, South Korea
Qualifications
Education
2012
Ph.D. Computational Nano Fusion Technology
Pusan National University, South Korea
"Density Functional Theory study of Catechol Adhesion on Dry & Wet Silica Surface". Published in J. Phys. Chem. C, Langmuir.
2006
M.S. Particle Physics
Kyungpook National University, South Korea
"Simulation Study for Tungsten Scintillator Calorimeter"
using Geant4 toolkit for simulating the passage of particles through matter, crucial for designing
detectors and analyzing collision paths." for the Large Hadron Collider at CERN
2006 — 2007
Research Assistant
Kyungpook National University, South Korea
CDF collaboration at Fermilab.
Professional Development
- Google Cybersecurity Certificate (2026)
- Introduction to Cybersecurity
- Foundation of Cybersecurity
- Connect and Protect Networks and Network Security
- Play It Safe Manage Security Risks
- Tools of the Trade Linux and SQL
- Automate Cybersecurity Tasks with Python
- Sound the Alarm: Detection and Response
- Assets, Threats, and Vulnerabilities
- Python Data Structures (2026)
- Programming for Everybody (Getting Started with Python)(2026)
- Prompt Engineering for ChatGPT (2026)
- Google Ads for Beginners (2025)
- Position Elements withCSS-Certificate (2025)
- Data Scientist Tool Box Certificate(2025)
- International COnference on Biomedical Engineering & Biomedical Sciences
- International Conference on Engineering Science and Technology
- International Conference on Materials s=Science
- Java Certificate
- Senior Secretary of the Science society University of Peshawar
- Managing Conflict At Workplace British Council Peshawar
Research Program: Areas of Investigation & Simulation
Bio-adhesion & Surface Science
Mussel adhesive protein mechanisms. Catechol-silica interactions.
Stimulus-controlled detachment. Glycine adsorption for biomaterial design.
→ J. Phys. Chem. C · Langmuir · RSC Adv.
Clean Energy & Electrocatalysis
Water splitting catalysts. MoS₂/NiFe₂O₄ heterostructures. Rh-doped hematite. TiO₂ photoelectrochemistry.
→ Int. J. Hydrogen · ACS Appl. Energy Mater. · Sci. Rep.
Nanobiosensors & Drug Delivery
Phosphorene-thioguanine for leukemia. MoS₂ breath analysis for lung cancer. Targeted drug delivery platforms.
→ Cancers · Molecules · J. Mol. Model.
Environmental & Gas Sensing Nanomaterials
Phosphorene for toxic gas detection. ZnO nanocage CO₂-to-methanol conversion. Aerosol remediation.
→ Materials Advances · Mater. Chem. Phys.
Battery & Energy Storage
Ni-rich cathode stabilization via Zr/Mo doping. SEI formation. NiₓSᵧ supercapacitors.
→ J. Phys. Chem. C · New J. Chem.
Optoelectronic Material Design
Doped semiconductors for photocatalysis. Boron arsenide defects. Perovskite properties.
→ Opt. Quantum Electron. · Mater. Sci.-Poland
Research Publications
2026
Khan, F.U., Khan, M.I., Mian, S.A., Sher, S. "Optoelectronic properties of TiO₂ anatase photoelectrode." Opt. Quantum Electron. 58:249. Q1
Khan, S.N., Hussain, A., Mian, S.A., Jang, J. "Phosphorene functionalization for toxic gas detection." RSC Advances 16, 22386. Q1
2024 — 2025
Ahmad, S., Mian, S.A.*, et al. "Carbonaceous aerosols to methanol via ZnO nanocage." Mater. Chem. Phys. 339, 2025. Q2
Ahmad, S., Mian, S.A.*, et al. "CO₂ to methanol using Ag-ZnO nanocatalyst." Materials Advances 5, 2024. Q1
Khan, N.A., et al., Mian, S.A. "MoS₂/NiFe₂O₄ for electrocatalytic H₂ generation." Int. J. Hydrogen Energy 2024. Q1
Khan, N.A., et al., Mian, S.A. "Zn-nickel ferrite for water splitting." ACS Appl. Energy Mater. 2024. Q1
2022 — 2023
Mian, S.A.*, et al. "Phosphorene-Thioguanine biosensor for leukemia." Cancers 14(3), 2022. Q1
Hussain, A., et al., Mian, S.A.* "TiO₂ for photoelectrochemical water splitting." Molecules 28(7), 2023. Q1
Mian, S.A., et al. "MoS₂ biomarkers for lung cancer detection." J. Mol. Model. 29(8), 2023. Q3
Khan, A., et al., Mian, S.A. "NiₓSᵧ on steel for energy storage." New J. Chem. 47(28), 2023. Q2
Hussain, A., Mian, S.A., et al. "Boron arsenide defect properties." J. Mol. Model. 29:393, 2023. Q3
2021
Sannyal, A., Mian, S.A.*, Jang, J.* "Ni-Rich cathode stabilization by Zr/Mo doping." J. Phys. Chem. C 125(50), 27543. Q1
Rauf, A., Mian, S.A.*, et al. "Rh-doped hematite for water splitting." Scientific Reports 11, 41. Q1
Mehmood, A., et al., Mian, S.A. "NiS nanorods for OER." Energy & Fuels 35(8), 6868. Q1
Ilyas, M., et al., Mian, S.A.* "TiO₂ antifouling via DFT+U." Mater. Today Commun. 27, 102366. Q2
Ilyas, M., Mian, S.A.*, et al. "Catechol adhesion reversal." Bull. Korean Chem. Soc. 2021. Q2
2016 — 2020
Mian, S.A.*, et al. "Glycine vs catechol on silica." RSC Advances 6, 114313, 2016. Q1
Mian, S.A.*, Khan, Y. "Mussel foot protein on silica." J. Chemistry 2017. Q2
Mian, S.A.*, et al. "CsYₓI₍₁₋ₓ₎ properties." Mater. Sci.-Poland 35, 2017. Q3
Mian, S.A.* + co-authors: 3 papers in Mater. Today: Proc. (2017) Q2
Mian, S.A. + co-authors: 2 non-ranked papers in MOJ Biorg. Org. Chem. and Int. J. Biosen. (2017)
Rahman, G., Mian, S.A., Joo, O. "Ru-modified GCE." J. Appl. Electrochem. 46(4), 2016. Q2
Rahman, G.*, et al., Mian, S.A.: 4 papers on Fe₂O₃, ZnS/ZnO, CNT review, Fe₂O₃-WO₃. Optik · Mater. Chem. Phys. · C · J. Electron. Mater. (2018-2020) Q2/Q3
2009 — 2014
Mian, S.A., Saha, L.C., Jang, J., Wang, L., Gao, X., Nagase, S. "Catechol adhesion on silica." J. Phys. Chem. C 114, 20793, 2010. Q1
Mian, S.A., Gao, X., Nagase, S., Jang, J. "Catechol on wet silica." Theor. Chem. Acc. 130, 333, 2011. Q3
Yang, L.M., Saha, et al., Ganz, E. "Underwater adhesion of mussels." Langmuir 30, 6906, 2014. Q2
Saha, L.C., Mian, S.A., et al.: 4 papers on CNT-surface interactions. J. Phys. Chem. C · Bull. Korean Chem. Soc. · J. Nanosci. Nanotechnol. (2009-2012) Q1/Q2/Q3