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  1. 1
    First principles calculation of ϵ-phase of solid oxygen
    Subjects: “...Applying pressure...”
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    Article
  2. 2
    Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach
    Subjects: “...Electron-phonon interactions...”
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    Article
  3. 3
    High thermoelectric performance in metastable phase of silicon: A first-principles study
    by Ju, S., Rao, Y., Zhao, C.Y
    Published 2022
    Subjects: “...First principle calculations...”
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    Article
  4. 4
    Comparative Study of Structural, Electronic, Magnetic and Thermodynamic Properties of TbInZ2 (Z = Cu, Ag, and Au)
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  5. 5
    N2, NO, and O2molecules in LiGaO2in both Ga and Li sites and their relation to the vacancies
    Subjects: “...First principle calculations...”
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    Article
  6. 6
    π-magnetism and spin-dependent transport in boron pair doped armchair graphene nanoribbons
    Subjects: “...π-electrons...”
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    Article
  7. 7
    Green Phosphorene as a Promising Biosensor for Detection of Furan and p-Xylene as Biomarkers of Disease: A DFT Study
    Subjects: “...Electronic sensing...”
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    Article
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