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1. A Brief Review of Atomistic Studies on BaTiO₃ as a Photocatalyst for Solar Water Splitting
2. Effect of Rh Doping on Optical Absorption and Oxygen Evolution Reaction Activity on BaTiO₃ (001) Surfaces
3. Magnetic anisotropy and stability of Fe₃Ga compounds
4. Optical properties of BaTiO₃ at room temperature: DFT modelling
5. Effect of rhodium doping for photocatalytic activity of barium titanate
6. Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V₂Ni₂Z ′ Z ′ ′ (Z ′ = Al, Ga and Z ′ ′ = Sb, Sn) using ab initio computational methods
7. Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from: Ab initio calculations
8. Computational Modeling of Cation Diffusion in Isolated Nanocrystals of Mixed Uranium, Plutonium and Thorium Dioxides
9. Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti₂Pt₂ZSb (Z = Al, Ga, In)
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