journal articles

M.T. Ahmed, D. Roy, A.A. Roman, S. Islam, F. Ahmed, "C3B2 Quantum Dot: A Potential Candidate for Heavy Metal Ion Detection and Removal in Wastewater Treatment", LANGMUIR (ACS Publishing), 2025, XX, XXX.

“Comprehensive study of Sr₂VInO₆ and Sr₂VTlO₆: Structural, mechanical, optoelectronic and thermoelectric properties”, S. Zahan, M. A. Rashid, T. Afroze, M.H.R. Khan; Materials Science and Engineering B 317, 118223 (2025)

“Impact of pressure on structural, mechanical, optoelectronic and thermoelectric properties of vacancy-ordered double perovskite K₂SeCl₆: A first principles study”, S. Zahan, D. Afroj, M. A. Rashid; Next Materials 8, 100512 (2025)

M.F. Mou, M. Khatun, D. Roy, A.A. Roman, M.T. Ahmed, "Density Functional Theory Calculations of Tetragonal Graphene Nanobowls for Toxic Heavy Metal Ion Removal from Wastewater", ACS Applied Nano Materials (ACS Publishing), 2025, 8, 3497.

Fatin Hasnat Shihab, Abu Talha, Mohammad Tanvir Ahmed, Abdullah Al Roman, Md Mehade Hasan, Debashis Roy "The effect of double-doped (B, N) on graphene’s N2O4 gas adsorption performance: an ab initio study" Adsorption

“Semiconductor to semimetallic transition in halide perovskite FrBCl₃ (B = Ge, Sn) under hydrostatic pressure: A DFT insights”, S. Jaman, R. C. Karmkar, M. A. Rashid. M. B. Asfia; Computational Condensed Matter 42, e00995 (2025)

Mim Khatun, Sayedul Hasan, Debashis Roy, Abdullah Al Roman, Mohammad Tanvir Ahmed"Ab initio study of hydrostatic pressure effect on structural, electronic, and optical properties of K₂MCdI₆ (M= Ca, Sr) perovskites" Optical and Quantum Electronics

K. Hossain, M.T. Ahmed et al., "First-principles investigations of As-doped tetragonal boron nitride nanosheet for toxic gas sensing application", Nanoscale Advances (Royal Society of Chemistry), 2024, 7, 354.

F.H. Shihab, A. Talha, M.T. Ahmed et al .,"The effect of double-doped (B, N) on graphene’s N2O4 gas adsorption performance: an ab initio study", Adsorption (Springer Nature), 2024, 31, 23.

M. Khatun, S. Hasan, D. Roy, A.A. Roman, M.T. Ahmed, "Ab initio study of hydrostatic pressure effect on structural, electronic, and optical properties of K₂MCdI₆ (M = Ca, Sr) perovskites", Optical and Quantum Electronics (Springer Nature), 2024,

M. Ahmed, M.M. Billah, M. Yamazaki, Effect of osmotic pressure on membrane permeation through antimicrobial peptide-induced pores, Biochemical and Biophysical Research Communications (2024) 151180. https://doi.org/10.1016/j.bbrc.2024.151180.