Research & Publication

Multiscale Materials Modeling Laboratory

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[118] Strain dependent physical properties of the lead-free perovoskite ZnZrO3 for energy device applications
Solid State Communications
397, 115846 (2025)
2025-01-17
Mubashir Hussain
Hamid Ullah
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[117] Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications
Computational Condensed Matter
42, e00997 (2025)
2025-03-01
Mazia Asghar
Hamid Ullah
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[116] Doping dependent magnetic and thermoelectric response of perovskite BaGeO3 for spintronics and energy applications
Computational Condensed Matter
41, e00973 (2024)
2024-11-07
Mubashir Hussain
Hamid Ullah, Saba Iqbal
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[115] Optoelectronic and thermoelectric response of lead free halide double perovskites Rb2AgPX6 (X=Cl, Br, I) for energy storage applications
Optical and Quantum Electronics
56, 1094 (2024)
2024-05-21
Farooq Ali
Hamid Ullah, Mazia Asghar
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[114] Defect Engineering of Ferroelectric Hysteresis in Lead-Free Bi1/2(Na,K)1/2TiO3 Thin Films
ACS Applied Electronic materials
6 (11), 8328-8338 (2024)
2024-11-05
Muhammad Sheeraz, Viet Dung Tran
Chang Won Ahn, Tae Heon Kim, Young-Han Shin
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[113] Magneto-Optic and thermoelectric response of doped SrZrO3 for energy storage applications
Journal of Magnetism and Magnetic Materials
598, 172055 (2024)
2024-05-15
Mubashir Hussain
Hamid Ullah
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[112] A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies
Physica B
682, 415916 (2024)
2024-04-01
Mazia Asghar
Hamid Ullah
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[111] Prediction of novel ground-state structures and analysis of phonon transport in two-dimensional GexSy compounds
Physical Chemistry Chemical Physics
26 (1), 602-611 (2023)
2023-11-30
Asad Ali
Young-Han Shin
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[110] Unveiling the structure and ions dynamics of amorphous Na3−xOHxCl antiperovskite electrolytes by first-principles molecular dynamics
Journal of Materials Chemistry A
11 (42), 22922 (2023)
2023-09-27
Thi Thanh Tan Lien
Guido Ori, Young-Han Shin
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