Standout Papers

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plan... 1993 2026 2004 2015 97.2k
  1. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set (1996)
    Georg Kresse, J. Furthmüller Physical review. B, Condensed matter
  2. From ultrasoft pseudopotentials to the projector augmented-wave method (1999)
    Georg Kresse, Daniel P. Joubert Physical review. B, Condensed matter
  3. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set (1996)
    Georg Kresse, J. Furthmüller Computational Materials Science
  4. Ab initiomolecular dynamics for liquid metals (1993)
    Georg Kresse, J. Häfner Physical review. B, Condensed matter
  5. Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium (1994)
    Georg Kresse, J. Häfner Physical review. B, Condensed matter
  6. Ab initiomolecular dynamics for open-shell transition metals (1993)
    Georg Kresse, J. Häfner Physical review. B, Condensed matter
  7. Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements (1994)
    Georg Kresse, J. Häfner Journal of Physics Condensed Matter
  8. Linear optical properties in the projector-augmented wave methodology (2006)
    Kerstin Hummer, Georg Kresse et al. Physical Review B
  9. First-principles calculations for point defects in solids (2014)
    Christoph Freysoldt, Blazej Grabowski et al. Reviews of Modern Physics
  10. Screened hybrid density functionals applied to solids (2006)
    Joachim Paier, Martijn Marsman et al. The Journal of Chemical Physics
  11. Ab initio molecular dynamics for liquid metals (1995)
    Georg Kresse Journal of Non-Crystalline Solids
  12. The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set (2005)
    Joachim Paier, Robin Hirschl et al. The Journal of Chemical Physics
  13. Self-consistentGWcalculations for semiconductors and insulators (2007)
    Maxim Shishkin, Georg Kresse Physical Review B
  14. Implementation and performance of the frequency-dependentGWmethod within the PAW framework (2006)
    Maxim Shishkin, Georg Kresse Physical Review B
  15. Fully unconstrained noncollinear magnetism within the projector augmented-wave method (2000)
    D. Hobbs, Georg Kresse et al. Physical review. B, Condensed matter
  16. Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite (1995)
    Georg Kresse, J. Furthmüller et al. Europhysics Letters (EPL)
  17. Defect energetics in ZnO: A hybrid Hartree-Fock density functional study (2008)
    Fumiyasu Oba, Atsushi Togo et al. Physical Review B
  18. First-principles investigation of phase stability inLixCoO2 (1998)
    Anton Van der Ven, Mehmet Kadri Aydınol et al. Physical review. B, Condensed matter
  19. Accurate Quasiparticle Spectra from Self-ConsistentGWCalculations with Vertex Corrections (2007)
    Maxim Shishkin, Martijn Marsman et al. Physical Review Letters
  20. Hybrid functionals applied to extended systems (2008)
    Martijn Marsman, Joachim Paier et al. Journal of Physics Condensed Matter
  21. Hybrid functionals applied to rare-earth oxides: The example of ceria (2007)
    Juarez L. F. Da Silva, M. V. Ganduglia-Pirovano et al. Physical Review B
  22. Hybrid functional studies of the oxygen vacancy inTiO2 (2010)
    Anderson Janotti, Joel B. Varley et al. Physical Review B
  23. Quasiparticle band structure based on a generalized Kohn-Sham scheme (2007)
    F. Fuchs, J. Furthmüller et al. Physical Review B
  24. Theory of the crystal structures of selenium and tellurium: The effect of generalized-gradient corrections to the local-density approximation (1994)
    Georg Kresse, J. Furthmüller et al. Physical review. B, Condensed matter
  25. On-the-fly machine learning force field generation: Application to melting points (2019)
    Ryosuke Jinnouchi, Ferenc Karsai et al. Physical review. B.
  26. Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference (2019)
    Ryosuke Jinnouchi, Jonathan Lahnsteiner et al. Physical Review Letters

Immediate Impact

8 by Nobel laureates 56 from Science/Nature 113 standout
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9 intermediate papers

Works of Georg Kresse being referenced

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
1996 Standout
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
1996 Standout
and 5 more

Author Peers

Author Last Decade Papers Cites
Georg Kresse 239236 68488 35055 108818 379 337.2k
John P. Perdew 196200 94040 31917 87217 330 325.5k
Kieron Burke 137013 48252 20789 64772 176 211.7k
Matthias Ernzerhof 139663 44680 20068 66755 92 210.1k
J. Furthmüller 120054 32403 18691 58034 180 170.3k
Jens K. Nørskov 105609 21769 2218 75483 671 201.9k
Peidong Yang 87235 12165 4946 56390 485 130.2k
Kostya S. Novoselov 202016 62016 5405 89118 563 253.0k
Stefan Grimme 68730 36991 2200 30885 810 165.8k
A. K. Geǐm 192433 61264 6653 83107 325 240.3k
J. Häfner 56814 19734 8951 23372 414 84.2k

All Works

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