Standout Papers

Accurate Molecular Van Der Waals Interactions ... 1992 2026 2003 2014 4.9k
  1. Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data (2009)
    Alexandre Tkatchenko, Matthias Scheffler Physical Review Letters
  2. Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) (1992)
    Jörg Neugebauer, Matthias Scheffler Physical review. B, Condensed matter
  3. Ab initio molecular simulations with numeric atom-centered orbitals (2009)
    Volker Blüm, Ralf Gehrke et al. Computer Physics Communications
  4. Composition, structure, and stability ofRuO2(110)as a function of oxygen pressure (2001)
    Karsten Reuter, Matthias Scheffler Physical review. B, Condensed matter
  5. New tolerance factor to predict the stability of perovskite oxides and halides (2019)
    Christopher J. Bartel, Christopher Sutton et al. Science Advances
  6. Accurate and Efficient Method for Many-Body van der Waals Interactions (2012)
    Alexandre Tkatchenko, Robert A. DiStasio et al. Physical Review Letters
  7. CO Oxidation as a Prototypical Reaction for Heterogeneous Processes (2011)
    Hans‐Joachim Freund, Gerard Meijer et al. Angewandte Chemie International Edition
  8. Big Data of Materials Science: Critical Role of the Descriptor (2015)
    Luca M. Ghiringhelli, Jan Vybíral et al. Physical Review Letters
  9. Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions (2012)
    Xinguo Ren, Patrick Rinke et al. New Journal of Physics
  10. Trends of the surface relaxations, surface energies, and work functions of the 4dtransition metals (1992)
    M. Methfessel, D. Hennig et al. Physical review. B, Condensed matter
  11. Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems (2012)
    Victor G. Ruiz, Wei Liu et al. Physical Review Letters
  12. Efficient integration for all-electron electronic structure calculation using numeric basis functions (2009)
    Ville Havu, Volker Blüm et al. Journal of Computational Physics
  13. Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies (2013)
    Katja Hansen, Grégoire Montavon et al. Journal of Chemical Theory and Computation
  14. Understanding band gaps of solids in generalized Kohn–Sham theory (2017)
    John P. Perdew, Weitao Yang et al. Proceedings of the National Academy of Sciences
  15. Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001) (1999)
    Mischa Bonn, S. Funk et al. Science
  16. GW100: Benchmarking G0W0 for Molecular Systems (2015)
    Michiel J. van Setten, Fabio Caruso et al. Journal of Chemical Theory and Computation

Immediate Impact

6 by Nobel laureates 38 from Science/Nature 152 standout
Sub-graph 1 of 17

Citing Papers

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41 intermediate papers

Works of Matthias Scheffler being referenced

Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
2007
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
1992 Standout
and 41 more

Author Peers

Author Last Decade Papers Cites
Matthias Scheffler 22816 32957 14682 486 52.8k
G. Ertl 22788 25083 8313 609 47.2k
L. J. Sham 34422 33088 18511 258 69.4k
J. Häfner 19734 56814 23372 414 84.2k
Hendrik J. Monkhorst 15577 45082 19396 122 65.6k
W. Kohn 39310 34989 17768 155 77.8k
M. C. Payne 11603 32800 12899 214 49.0k
Gustavo E. Scuseria 36357 57777 23296 486 99.5k
Roberto Car 17236 23693 11136 335 43.6k
Martin Head‐Gordon 42670 21276 10725 673 76.1k
Hannes Jónsson 10954 38142 20707 241 62.1k

All Works

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