Sandip Sutradhar, Suptajoy Barua and Alamgir Kabir : Exploring half-metallicity and high-temperature optoelectronic potential of FrTiX3 (X = Cl, Br, I) compounds: A first-principles study, Results in Physics , ISSN: 2211-3797 , vol.83 Elsevier , pp.108615 , 2026 .

Md. Mohiuddin, Mohammed Mehedi Hasan and Alamgir Kabir : Stability Analysis and Optoelectronic Properties of Mg3ZBr3 (Z = As, Sb, Bi) Perovskites for Evaluating the Performance in PIN Photodiodes, ACS Omega , (impact factor:4.4) , vol.11 , no.7 American Chemical Society , pp.12117 - 12137 , 2026 .

Jahid Hasan, Amitav Das, R. C. Gosh and Alamgir Kabir : Temperature dependent entropy of liquid noble metals: Theory supported by MD and AIMD simulations, Journal of Molecular Liquids , ISSN: 0167-7322 , vol.444 Elsevier , pp.129214 , 2026 .

Arafat Rahman, Alamgir Kabir and Tareq Mahmud : Semimetallic superconductivity in cubic Nd3In: a first-principles insight into indium-based compounds, RSC Adv. , vol.15 , no.47 The Royal Society Publishing , pp.39630-39641 , 2025 .

Fahim Parvez and Alamgir Kabir : Insights into the water splitting reaction mechanism on boron- and fluorine-doped graphene monolayers: an ab initio density functional theory perspective, Applied Surface Science , ISSN: 0169-4332 , (impact factor:6.9) , vol.718 Elsevier , pp.165004 , 2025 .

Farhan Noor, Alamgir Kabir and MD Tareq Mahmud : Emergence of superconductivity in ordered NbCd3 alloy and its multifunctional properties: A first-principles study, Physica B: Condensed Matter , ISSN: 0921-4526 , (impact factor:2.8) , vol.716 Elsevier , pp.417693 , 2025 .

Celal Kursun, Mohammed Mehedi Hasan, Alamgir Kabir, Ismahan Duz Parrey and Khursheed Ahmad Parrey : Enhancing the photophysical properties of absorption and luminescence in lightly doped halide double perovskite nanomaterials (Cs2Ag1-aBi1-bPbxBr6): Theory and experiment, Next Materials , ISSN: 2949-8228 , (impact factor:2.016) , vol.9 Elsevier , pp.101032 , 2025 .

Rifat Sarker Apu, Nazmul Hasan, M. Hussayeen Khan Anik, Mohammed Mehedi Hasan, M. Arifuzzaman, M. Harunur Rashid and Alamgir Kabir : Pressure-Induced Physical and Optoelectronic Properties of Noble Cs2HfInBr6 for Enhanced Solar Energy Harvesting, International Journal of Energy Research , vol.2025 Wiley , pp.9913604 , 2025 .

Mohammed Mehedi Hasan, Nazmul Hasan and Alamgir Kabir : DFT studies of the role of anion variation in physical properties of Cs2NaTlBr6−xClx (x = 0, 1, 2, 3, 4, 5 and 6) mixed halide double perovskites for optoelectronics, Royal Society Open Science , vol.12 The Royal Society Publishing , pp.241680 , 2025 .

Julaiba T. Mazumder, Mohammed M. Hasan, Fahim Parvez, Tushar Shivam, Dobbidi Pamu, Alamgir Kabir, Mainul Hossain and Ravindra K. Jha : Unlocking the sensing and scavenging potential of Sc2CO2 and Sc2CO2/TMD heterostructures for phosgene detection, Phys. Chem. Chem. Phys. , vol.27 The Royal Society of Chemistry , pp.10506-10522 , 2025 .

Rifat Sarker Apu, Nazmul Hasan, Rubaiyet I. Haque, Alamgir Kabir and Md Harunur Rashid : Ferromagnetic double Sr2PrSnO6 perovskite: DFT analysis of physical, optoelectronic, and transport properties for advanced opto-spintronics, , vol.15 , no.DOI: 10.1039/d5cp00601e AIP Advances , pp.035043 , 2025 .

Md. Sajib Hossian, Md. Majibul Haque Babu, Alamgir Kabir, Ahmed Azzouz Rached and Md. Ibrahim Kholil : A DFT insight into lead free double halide perovskite Cs2TeI6 for clean and renewable energy sources, Mater. Adv. , (impact factor:4.7) , vol.6 , no.15 RSC , pp.5221-5231 , 2025 .

Nazmul Hasan, M. Hussayeen Khan Anik, Mohammed Mehedi Hasan, Sharnali Islam and Alamgir Kabir : Comprehensive numerical analysis of doping controlled efficiencyin lead free CsSn1-xGexI3 perovskite solar cell, Applied Physics A , vol.131 Springer Nature , 2024 .

Arafat Rahman, Alamgir Kabir and Tareq Mahmud : Computational insights into transition metal-based BaCoX3 (X = Cl, Br, I) halide perovskites for spintronics, photovoltaics, and renewable energy devices, Scientific Reports , vol.14 , no.1 Nature , pp.26457 , 2024 .

Farhan Noor, Alamgir Kabir and MD Tareq Mahmud : A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3(X = Cl, Br, I), Physica Scripta , vol.99 , no.12 IOP Publishing , pp.125962 , 2024 .

M Atikur Rahman, Sayed Syful Islam, Md Ali Rayhan, Alamgir Kabir, Mohammad A Alim, Jamal Uddin, Munirah D Albaqami, Saikh Mohammad, Rajesh Haldhar and M Khalid Hossain : Comparative analysis of KXH3 (X= Mg, be) hydride cubic perovskites for hydrogen storage properties: a computational approach, International Journal of Hydrogen Energy , vol.80 Elsevier , pp.725--732 , 2024 .

Mohammed Mehedi Hasan and Alamgir Kabir : Tuning the Physical Properties of Lead-Free Halide Double Perovskite Cs2MInCl6 (M= Na, K) via Cu Doping for Optoelectronic Applications: ADFT Investigation, The Journal of Physical Chemistry C , vol.128 , no.1 ACS Publications , pp.407--420 , 2023 .

Nazmul Hasan, Mohammed Mehedi Hasan, Alamgir Kabir and Md Harunur Rashid : Theoretical study of the structural, electronic, mechanical, and optical of transition metal (mn, co, and ni) doped FrGeI3 perovskites, Results in Materials , vol.20 Elsevier , pp.100457 , 2023 .

Nazmul Hasan, SS Nishat, S Sadman, MR Shaown, Md Azizul Hoque, Md Arifuzzaman and A Kabir : Magnetic, optoelectronic, and rietveld refined structural properties of Al3+ substituted nanocrystalline Ni-Cu spinel ferrites: An experimental and DFT based study, Journal of Magnetism and Magnetic Materials , vol.573 Elsevier , pp.170675 , 2023 .

Sikder Ashikuzzaman Ayon, Sajjad Hasan, Md Muktadir Billah, Sadiq Shahriyar Nishat and Alamgir Kabir : Improved luminescence and photocatalytic properties of Sm3+-doped ZnO nanoparticles via modified sol--gel route: a unified experimental and DFT+ U approach, Journal of Rare Earths , vol.41 , no.4 Elsevier , pp.550--560 , 2023 .

Shahran Ahmed, Tarique Hasan, AKM Sarwar Hossain Faysal, Sadiq Shahriyar Nishat, MNI Khan, Alamgir Kabir and Imtiaz Ahmed : A DFT+ U approach to doped SrTiO3 for solar harvesting applications, Computational Materials Science , vol.214 Elsevier , pp.111743 , 2022 .

Mohammed Mehedi Hasan, Alamgir Kabir and Md Kamruzzaman : The structural, elastic, electronic, magnetic and optical properties of SrNiO3 perovskite: A DFT and DFT+ U study, Results in Physics , vol.41 Elsevier , pp.105920 , 2022 .

Fahim Bin Selim, Alamgir Kabir and Sadiq Shahriyar Nishat : Effects of transition metal doping on CsGeBr3 perovskite: First-principles study, AIP Advances , vol.12 , no.7 AIP Publishing , 2022 .

Alamgir Kabir, Zereen Saba, Me and Javedad : The Assimilation of Satellite Radiance Data for Hailstorm Prediction over Bangladesh with Three-Dimensional Variational (3Dvar) WRF Model, The Bangladesh journal of scientific research , vol.31-33 (December, 2020) , pp.66-127 , 2022 .

Md. Khorshed Alam, Md. Khorshed Alam, Alauddin, Alamgir Kabir and Hedong Zhang : Effect of nitrogen incorporation and ultraviolet irradiation on interactions of perfluoropolyether with carbon surfaces using quantum chemical study, Journal of Bangladesh Chemical Society , vol.33 , pp.18-25 , 2022 .

Nazmul Hasan, Md Arifuzzaman and Alamgir Kabir : Structural, elastic and optoelectronic properties of inorganic cubic FrBX 3 (B= Ge, Sn; X= Cl, Br, I) perovskite: the density functional theory approach, RSC advances , vol.12 , no.13 Royal Society of Chemistry , pp.7961--7972 , 2022 .

Jannatul Fardush Tanha, SFU Farhad, U Honey, NI Tanvir, Tarique Hasan, Sadiq Shahriyar Nishat, Alamgir Kabir, Shahran Ahmed, Mahmuda Hakim, MNI Khan and others : A DFT+ U look into experimentally synthesized monoclinic scheelite BiVO4, Journal of Applied Physics , vol.130 , no.23 AIP Publishing , 2021 .

Khan Md Golam Rabbani, Someshwar Das, P, SK a, Alamgir Kabir and Muhammad Abul Kalam Mallik : Physical and dynamical characteristics of thunderstorms over Bangladesh based on radar, satellite, upper-air observations, and WRF model simulations, Pure and Applied Geophysics , vol.178 Springer , pp.3747--3767 , 2021 .

Shahran Ahmed, Sadiq Shahriyar Nishat, Alamgir Kabir, AKM Sarwar Hossain Faysal, Tarique Hasan, Shovon Chakraborty and Imtiaz Ahmed : Structural, elastic, vibrational, electronic and optical properties of SmFeO3 using density functional theory, Physica B: Condensed Matter , vol.615 Elsevier , pp.413061 , 2021 .

Sadiq Shahriyar Nishat, Md Jayed Hossain, Faiyaz Elahi Mullick, Alamgir Kabir, Shaestagir Chowdhury, Sharnali Islam and Mainul Hossain : Performance analysis of perovskite solar cells using DFT-extracted parameters of metal-doped TiO2 electron transport layer, The Journal of Physical Chemistry C , vol.125 , no.24 ACS Publications , pp.13158--13166 , 2021 .

Muhammad Rakibul Islam, Md Saiduzzaman, Sadiq Shahriyar Nishat, Alamgir Kabir and SFU Farhad : Synthesis, characterization and visible light-responsive photocatalysis properties of Ce doped CuO nanoparticles: a combined experimental and DFT+ U study, Colloids and Surfaces A: Physicochemical and Engineering Aspects , vol.617 Elsevier , pp.126386 , 2021 .

Sikder Ashikuzzaman Ayon, Md Muktadir Billah, Sadiq Shahriyar Nishat and Alamgir Kabir : Enhanced photocatalytic activity of Ho3+ doped ZnO NPs synthesized by modified sol-gel method: an experimental and theoretical investigation, Journal of Alloys and Compounds , vol.856 Elsevier , pp.158217 , 2021 .

Fariha Ahmed and Alamgir Kabir : Electronic Properties and Scanning Tunneling Microscopy Simulation of MoS2 Nanosheets by Using Density Functional Theory, Dhaka University Journal of Science , vol.69 , no.1 , pp.53--57 , 2021 .

Md Ashraful Islam, Me, Javed ad, Saurav Dey Shuvo and Alamgir Kabir : Modeling of lightning events using WRF-derived microphysical parameters, The Dhaka University Journal of Earth and Environmental Sciences , vol.8 , no.2 , pp.41--50 , 2021 .

Alamgir Kabir and Esteaque Ahmed : First principles study of magnetization and magnetic anisotropy energy of small Co-Pt clusters, Results in Physics , vol.19 Elsevier , pp.103394 , 2020 .

Sadiq Shahriyar Nishat, Md Tohidul Islam, Saquib Ahmed and Alamgir Kabir : Ab initio study of oxygen evolution reaction and hydrogen evolution reaction via water splitting on pure and nitrogen-doped graphene surface, Materials Today Communications , vol.25 Elsevier , pp.101602 , 2020 .

Muhammad R Islam, Jaed Ebna Obaid, Md Saiduzzaman, Sadiq Shahriyar Nishat, T Debnath and Alamgir Kabir : Effect of Al doping on the structural and optical properties of CuO nanoparticles prepared by solution combustion method: Experiment and DFT investigation, Journal of Physics and Chemistry of Solids , vol.147 Elsevier , pp.109646 , 2020 .

Tohidul Islam, Rafsun Jani, Syed Muhammad Al Amin, Kazi Md Shorowordi, Sadiq Shahriyar Nishat, Alamgir Kabir, MFN Taufique, Shaestagir Chowdhury, Sankha Banerjee and Saquib Ahmed : Simulation studies to quantify the impacts of point defects: an investigation of Cs2AgBiBr6 perovskite solar devices utilizing ZnO and Cu2O as the charge transport layers, Computational Materials Science , vol.184 Elsevier , pp.109865 , 2020 .

ALAMGIR Kabir, SADIQ SHAHRIYAR Nishat and SUMAYA Rahman : The density functional theory (DFT) and DFT+ U study of the effect of the on-site coulomb repulsion parameter U on the structural and magnetic properties of CeO2 nanoparticles, Bangladesh Journal of Physics , vol.27 , no.1 , pp.43--58 , 2020 .

Pappu Paul, Ashik Imran, Md Jafrul Islam, Alamgir Kabir, Sahadat Jaman and Ishtiaque M Syed : Study of Pre-monsoon thunderstorms and associated thermodynamic Features over Bangladesh using WRF-ARW model, Dhaka University Journal of Science , vol.67 , no.2 , pp.151--156 , 2019 .

Akhlak-Ul Mahmood and Alamgir Kabir : Calculation of Curie Temperature of Magnetic Nanoparticles: Iron nanoparticles as an example, Bangladesh Journal of Physics , 2017 .

Alamgir Kabir, Jun Hu, Volodymyr Turkowski, Ruqian Wu, Robert Camley and Talat S Rahman : Effect of structure on the magnetic anisotropy of L 1 0 FePt nanoparticles, Physical Review B , vol.92 , no.5 APS , pp.054424 , 2015 .

Alamgir Kabir, Volodymyr Turkowski and Talat S Rahman : A DFT+ nonhomogeneous DMFT approach for finite systems, Journal of Physics: Condensed Matter , vol.27 , no.12 IOP Publishing , pp.125601 , 2015 .

Volodymyr Turkowski, Alamgir Kabir, Neha Nayyar and Talat S Rahman : Dynamical mean-field theory for molecules and nanostructures, The Journal of chemical physics , vol.136 , no.11 AIP Publishing , 2012 .

Volodymyr Turkowski, Alamgir Kabir, Neha Nayyar and Talat S Rahman : A DFT+ DMFT approach for nanosystems, Journal of Physics: Condensed Matter , vol.22 , no.46 IOP Publishing , pp.462202 , 2010 .

Ain-ul Huda, Alamgir Kabir, Nasreen Shams and Mesbahuddin Ahmed : The Magnetic moment, Fermi energy and Binding energy of Binary Random alloys, Dhaka Univ. J Sci. , vol.55 , pp.129-132 , 2009 .

Volodymyr Turkowski, Alamgir Kabir, Neha Nayyar and Talat S Rahman : Dynamical mean-field theory for molecules and nanostructures, The Journal of chemical physics , vol.136 , no.11 , 2012 .