Journal Papers:

Sr #	Description
1	E.A. Khera, H. Ullah, M. Imran, N.A. Niaz, R.M.A. Khalil, U. Resheed, A.M. Rana, Muhammad Iqbal Hussain, C. Mahata, S. Kim “ab-initio study of oxygen vacancy effects on structural, electronic and thermoelectric behavior of AZr1-xMxO3 (A = Ba, Ca, Sr; M= Al, Cu, x = 0.25) for application of memory devices”, Journal of Molecular Graphics and Modelling 103 (2021) 1-13. https://doi.org/10.1016/j.jmgm.2020.107825.
2	R.M.A. Khalil, Muhammad Iqbal Hussain, Nyla Saeed, A.M. Rana, F. Hussain “The prediction of structural, electronic, optical and vibrational behavior of ThS2 for nuclear fuel applications: A DFT study”, Optical and Quantum Electronics 53 (11) (2021) 1-15. https://doi.org/10.1007/s11082-020-02698-7.
3	S. Hayat, R.M.A. Khalil, Muhammad Iqbal Hussain, A.M. Rana, F. Hussain “First-principles investigations of the structural, optoelectronic, magnetic and thermodynamic properties of hydride perovskites XCuH3 (X= Co, Ni, Zn) for hydrogen storage applications”, Optik - International Journal for Light and Electron Optics 228 (2021) 1-18. https://doi.org/10.1016/j.ijleo.2020.166187.
4	R.M.A. Khalil, Muhammad Iqbal Hussain, M. Imran, F. Hussain, N. Saeed, G. Murtaza, A.M. Rana, C. Mahata “First-Principles Simulation of Structural, Electronic and Optical Properties of Cerium Trisulfide (Ce2S3) Compound”, Journal of Electronic Materials 50(4) (2020) 1637–1643. https://doi.org/10.1007/s11664-020-08478-z.
5	A. Ali, R. Raza, R.M.A. Khalil, Muhammad Iqbal Hussain “Electrochemical Analysis of Titanate based Anode for Direct Carbon Fuel Cell”, ACS Applied Energy Materials 3 (9) (2020) 9182–9189. https://doi.org/10.1021/acsaem.0c01532.
6	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, A.M. Rana “DFT based insight into the magnetic and thermoelectric characteristics of XTaO3 (X = Rb, Fr) ternary perovskite oxides for optoelectronic applications”, International Journal of Energy Research (2020) 1-13. https://doi.org/10.1002/er.5968.
7	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, A.M. Rana “Ab-initio prediction of the structural, electronic and optical behavior of novel combinations of ternary perovskite oxides ATiO3 (A = Rb, Cs, Fr) using Hubbard ‘U’ correction for optoelectronic devices”, Journal of Computational Electronics 19 (4) (2020) 1-11. https://doi.org/10.1007/s10825-020-01571-w.
8	R.M.A. Khalil, Muhammad Iqbal Hussain, F. Hussain, A.M. Rana, G. Murtaza, M. Shakeel, H. M. Asif Javed “Structural, Vibrational, Mechanical and Optoelectronic Properties of LiBH4 for Hydrogen Storage and Optoelectronic Devices: First Principles Study”, The International Journal of Quantum Chemistry e26444 (2020) 1-14. http://dx.doi.org/10.1002/qua.26444.
9	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, A.M. Rana, G. Murtaza, M. Imran “Probing the structural, electronic, mechanical strength and optical properties of tantalum-based oxide perovskites ATaO3 (A = Rb, Fr) for optoelectronic applications: First-principles investigations”, Optik - International Journal for Light and Electron Optics 219 (2020) 165027 1-10. https://doi.org/10.1016/j.ijleo.2020.165027.
10	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, A.M. Rana, M. Imran “Ab-initio prediction of the mechanical, magnetic and thermoelectric behaviour of perovskite oxides XGaO3 (X = Sc, Ti, Ag) using LDA+U functional: For optoelectronic devices”, Journal of Molecular Graphics and Modelling 99 (2020) 1-11. https://doi.org/10.1016/j.jmgm.2020.107621.
11	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, M. Imran, A.M. Rana, S. Kim: “Investigation of structural, electronic and optical properties of YInO3(Y=Rb, Cs, Fr) perovskite oxides using mBJ approximation for optoelectronic applications: A first principles study”, Materials Science in Semiconductor processing 113 (2020) 1-9. https://doi.org/10.1016/j.mssp.2020.105064.
12	Muhammad Iqbal Hussain, R.M.A. Khalil, S. Boota, F. Hussain, M. Imran, G. Murtaza, A.M. Rana, M.A. Sattar: “The structural, electronic and dynamical investigations of NdMn2O5 and La2CoMnO6 for optoelectronic applications: A first principles study”, Optik - International Journal for Light and Electron Optics 204 (2020) 1-10. https://doi.org/10.1016/j.ijleo.2019.164165.
13	R.M.A. Khalil, F. Hussain, Muhammad Iqbal Hussain, A. Parveen, M. Imran, G. Murtaza, M.A. Sattar, A.M. Rana, S. Kim: “The Investigation of The investigation of optoelectronic, magnetic and dynamical properties of Ce and Ti doped 2D blue phosphorene: A dispersion corrected DFT study”, Journal of Alloys and Compounds 827 (2020) 1-10. https://doi.org/10.1016/j.jallcom.2020.154255.
14	Muhammad Iqbal Hussain, R.M.A. Khalil, F. Hussain, M. Imran, A.M. Rana, S. Kim, “Investigations of Structural, Electronic and Optical properties of TM-GaO3 (TM= Sc, Ti, Ag) Perovskite Oxides for Optoelectronic applications: A First Principles study”, Materials Research Express, 7 (2020) 1-12. https://doi.org/10.1088/2053-1591/ab619c.
15	S.H. Bukhari, Muhammad Iqbal Hussain, S.N. Khan, M.A. Ahmad, “Nonclassicality of two-mode nonorthogonal states”, Optik - International Journal for Light and Electron Optics 123 (2012) 2288-2291. https://doi.org/10.1016/j.ijleo.2011.11.025.