Density functional theory study of hydrogenated graphene = Density functional theory study of hydrogenated graphene

Perhitungan suhu curie sistem magnetis TiO2:Ta berbasis density functional theory (DFT) dan dynamical mean-field theory (DMFT) = Calculation of curie temperature of TiO2:Ta ferromagnetic system based on density functional theory (DFT) and dynamical mean-field theory (DMFT)

Pengaruh Subtitusi Unsur Divalen Terhadap Struktur dan Sifat Mekanik Perovskite Manganit Nd0.67Sr(0.33-x)CaxMnO3 Menggunakan Permodelan Komputasi Density Functional Theory = The Effect of Divalent Subtitution on Structural and Mechanical Properties of Perovskite Manganite Nd0.67Sr(0.33-x)CaxMnO3 Using Density Functional Theory

Perhitungan sifat-sifat optis TiO2:Ta berbasis density functional theory (DFT) dengan memperhitungkan hubbard U dan persamaan bethe-salpeter = Density functional theory based calculation of optical properties of anatase TiO2:Ta incorporating hubbard U and bethe-salpeter equation

Density functional theory (DFT) calculations to investigate the effects of substitution of ga with al on the band gap and the optical spectrum of Al (x) Ga (1 -z)N (x=0.125, 0.25) = Studi pengaruh subtitusi Ga dengan Al dalam sifat-sifat optis dan struktur elektronik Al (x) Ga (1 -z)N (x=0.125, 0.25) berbasis density functional theory (DFT)