The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table

• Itinerant versus localized magnetism in spin-gapped metallic half-Heusler compounds: Stoner criterion and magnetic interactions

  2025 Physical review. B./Physical review. B article Materials Science Heusler alloys: electronic and magnetic properties

  5

  citations
• An Atomic‐Scale View at γ’‐Fe4N as Hydrogen Barrier Material

  2025 Advanced Materials Interfaces article Materials Science Hydrogen embrittlement and corrosion behaviors in metals Open access

  5

  citations
• Correlation effects in two-dimensional M X 2 and M A 2 Z 4 ( M = Nb , Ta ; X = S , Se , Te ; A = Si , Ge ; Z = N , P ) cold metals: Implications for device applications

  2025 Physical Review Materials article Materials Science 2D Materials and Applications

  5

  citations
• Platinum hydride formation during cathodic corrosion in aqueous solutions

  2025 Nature Materials article Energy Electrocatalysts for Energy Conversion Open access

  28

  citations
• Spin gapped metals: A novel class of materials for multifunctional spintronic devices

  2025 Journal of Magnetism and Magnetic Materials article Materials Science Heusler alloys: electronic and magnetic properties Open access

  6

  citations
• Atomate2: modular workflows for materials science

  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  43

  citations
• Linking Bulk and Surface Structures in Complex Mixed Oxides

  2024 ACS Catalysis article Chemical Engineering Catalysis and Oxidation Reactions Open access

  7

  citations
• Ab-initio DFT＋ U study on the electronic correlation in multiferroic XY-antiferromagnetic Ba2CoGe2O7

  2024 Journal of Magnetism and Magnetic Materials article Materials Science Multiferroics and related materials Open access

  1

  citations
• Towards graphene-based asymmetric diodes: a density functional tight-binding study

  2024 Nanoscale Advances article Materials Science Graphene research and applications Open access

  14

  citations
• Chemical bonding with plane waves

  2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies

  9

  citations
• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

  40

  citations
• Isotopic study of Raman active phonon modes in β-Ga 2 O 3

  2021 Journal of Materials Chemistry C article Materials Science Ga2O3 and related materials Open access

  45

  citations

12 results