Correlated metals and the LDA + U method

• Implementation and application of a DFT + U + V approach within the all-electron FLAPW method

  2026 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access

  0

  citations
• Implementation and application of a DFT + U + V approach within the all-electron FLAPW method

  2026 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access

  0

  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
• Low-spin state of Fe in Fe-doped NiOOH electrocatalysts

  2023 Nature Communications article Energy Electrocatalysts for Energy Conversion Open access

  161

  citations
• Refined DFT＋ U method for computation of layered oxide cathode materials

  2023 Electrochimica Acta article Engineering Advancements in Battery Materials

  17

  citations
• Fundamentals of energy storage from first principles simulations: Challenges and opportunities

  2023 Frontiers in Energy Research article Physics and Astronomy Advanced Chemical Physics Studies Open access

  8

  citations
• Hubbard U parameters for transition metals from first principles

  2022 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies

  154

  citations

7 results