Georg Kresse

Top papers

• Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

  Georg Kresse, J. Furthmüller·1996·Physical review. B, Condensed matter
  ↗ 118,683
• From ultrasoft pseudopotentials to the projector augmented-wave method

  Georg Kresse, Daniel P. Joubert·1999·Physical review. B, Condensed matter
  ↗ 82,350
• Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

  Georg Kresse, J. Furthmüller·1996·Computational Materials Science
  ↗ 73,574
• <i>Ab initio</i>molecular dynamics for liquid metals

  Georg Kresse, J. Häfner·1993·Physical review. B, Condensed matter
  ↗ 44,390
• <i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

  Georg Kresse, J. Häfner·1994·Physical review. B, Condensed matter
  ↗ 22,375
• <i>Ab initio</i>molecular dynamics for open-shell transition metals

  Georg Kresse, J. Häfner·1993·Physical review. B, Condensed matter
  ↗ 8,136
• Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

  Georg Kresse, J. Häfner·1994·Journal of Physics Condensed Matter
  ↗ 3,905
• Linear optical properties in the projector-augmented wave methodology

  Marek Gajdoš, Kerstin Hummer, Georg Kresse, et al.·2006·Physical Review B
  ↗ 3,375
• First-principles calculations for point defects in solids

  Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel, et al.·2014·Reviews of Modern Physics
  ↗ 2,836
• Screened hybrid density functionals applied to solids

  Joachim Paier, Martijn Marsman, Kerstin Hummer, et al.·2006·The Journal of Chemical Physics
  ↗ 2,400
• Ab initio molecular dynamics for liquid metals

  Georg Kresse·1995·Journal of Non-Crystalline Solids
  ↗ 2,118
• Reproducibility in density functional theory calculations of solids

  Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.·2016·Science
  ↗ 1,604OA