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Stefano de Gironcoli

Identifiers

  • name variant Stefano de Gironcoli 0.60 · backfill

Papers (26)

  1. Melting Behavior and Phase Stability of CaO from Neural Network Potentials: a Molecular Dynamics Study cond-mat.mtrl-sci · 2026 · author #2
  2. Beyond the random phase approximation with a local exchange vertex cond-mat.mtrl-sci · 2018 · author #3
  3. A parallel orbital-updating based plane-wave basis method for electronic structure calculations physics.comp-ph · 2017 · author #3
  4. Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions cond-mat.soft · 2016 · author #2
  5. Crystal Structure Prediction of Molecular Crystals from First Principles: Are we there yet? cond-mat.mtrl-sci · 2016 · author #3
  6. Molecular bonding with the RPAx: from weak dispersion forces to strong correlation cond-mat.str-el · 2015 · author #3
  7. Correlation energy within exact-exchange ACFD theory: systematic development and simple approximations cond-mat.str-el · 2014 · author #3
  8. Hubbard-corrected DFT energy functionals: the LDA+U description of correlated systems cond-mat.mtrl-sci · 2013 · author #3
  9. {\it Ab initio} $^{27}Al$ NMR chemical shifts and quadrupolar parameters for $Al_2O_3$ phases and their precursors cond-mat.mtrl-sci · 2011 · author #4
  10. A new look on the nature of high-spin to low-spin transition in Fe2O3 cond-mat.mtrl-sci · 2009 · author #2
  11. Structural and spin transitions in Fe$_{2}$O$_{3}$ cond-mat.mtrl-sci · 2009 · author #2
  12. Efficient and accurate calculation of exact exchange and RPA correlation energies in the Adiabatic-Connection Fluctuation-Dissipation theory cond-mat.mtrl-sci · 2009 · author #2
  13. Van der Waals Coefficients of Atoms and Molecules from a Simple Approximation for the Polarizability cond-mat.mtrl-sci · 2009 · author #2
  14. Lowering Effective Coordination Promotes Adsorption of NO on Rh(100) and Rh/MgO(100)surfaces cond-mat.mtrl-sci · 2008 · author #4
  15. Interplay between Bonding and Magnetism in the Adsorption of NO on Rh Clusters cond-mat.mtrl-sci · 2007 · author #3
  16. Origins of low- and high-pressure discontinuities of $T_{c}$ in niobium cond-mat.supr-con · 2005 · author #2
  17. A linear response approach to the calculation of the effective interaction parameters in the LDA+U method cond-mat.mtrl-sci · 2004 · author #2
  18. Electron localization in pure and defective ceria by a unified LDA+U approach cond-mat.mtrl-sci · 2003 · author #2
  19. Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA cond-mat.mtrl-sci · 2001 · author #2
  20. Dipole-quadrupole interactions and the nature of phase III of compressed hydrogen cond-mat.mtrl-sci · 1999 · author #3
  21. The reconstruction of Ni and Rh (001) surfaces upon Carbon, Nitrogen, or Oxygen adsorption cond-mat.mtrl-sci · 1998 · author #2
  22. Effects of disorder on the optical properties of the (Zn,Mg)(S,Se) quaternary alloy cond-mat.mtrl-sci · 1998 · author #2
  23. First-principles calculation of the thermal properties of silver cond-mat.mtrl-sci · 1998 · author #2
  24. Temperature dependent surface relaxations of Ag(111) cond-mat · 1998 · author #2
  25. Structural and Electronic Properties of a Wide-gap Semiconductor Alloy: Zn_xMg_{1-x}S_ySe_{1-y} cond-mat.mtrl-sci · 1997 · author #2
  26. Phonon softening and superconductivity in tellurium under pressure mtrl-th · 1996 · author #3

Mentions

  • 1702.04045 #3 · arxiv_oai · confidence 0.70 Stefano de Gironcoli
  • 1409.0354 #3 · backfill · confidence 0.70 Stefano de Gironcoli
  • 1309.3355 #3 · backfill · confidence 0.70 Stefano de Gironcoli
  • 1110.0231 #4 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0905.3414 #2 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0903.2104 #2 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0902.0889 #2 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0902.0883 #2 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0810.1910 #4 · backfill · confidence 0.70 Stefano de Gironcoli
  • 0709.4365 #3 · backfill · confidence 0.70 Stefano de Gironcoli

Frequent Coauthors