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Entities 25 of 10,496

Edges for density-functional theory

  • Equation Learner Neural Networksdepends ondensity-functional theory92% · 1 sources
  • density-functional theoryapplies toaltermagnet90% · 1 sources
  • density-functional theoryimplementsmicroring resonators90% · 1 sources
  • Total-energy-assisted Tight-binding Methoddepends ondensity-functional theory90% · 1 sources
  • SchNetdepends ondensity-functional theory90% · 1 sources
  • PaiNNdepends ondensity-functional theory90% · 1 sources
  • NequIPdepends ondensity-functional theory90% · 1 sources
  • Allegrodepends ondensity-functional theory90% · 1 sources
  • MACEdepends ondensity-functional theory90% · 1 sources
  • density-functional theoryimplementsMnBi₂Te₄90% · 1 sources
  • density-functional theoryimplementsregional chemical potential analysis90% · 1 sources
  • density-functional theoryapplies toN₂ clathrate hydrate90% · 1 sources
  • High-Pressure Crystal Structure Databaseimplementsdensity-functional theory90% · 1 sources
  • material-specific MLIPsdepends ondensity-functional theory90% · 1 sources
  • density-functional theoryimplementsnon-relativistic spin-splitting90% · 1 sources
  • density-functional theoryimplementsgeneralized planar fault energy curves90% · 1 sources
  • tensorial spin Hamiltoniansdepends ondensity-functional theory85% · 1 sources
  • density-functional theoryimplementsWurtzite-ZnO85% · 1 sources
  • density-functional theoryimplementsAs2Se385% · 1 sources
  • density-functional theoryimplementsspin-dynamics simulations85% · 1 sources
  • gradient-boosted modelimplementsdensity-functional theory85% · 1 sources
  • machine learning interatomic potentialscompetes withdensity-functional theory80% · 1 sources