pith. sign in

Matteo Cococcioni

Identifiers

  • name variant Matteo Cococcioni 0.60 · backfill

Papers (24)

  1. Magnetic interactions and spin orders in Cr$_8$ and V$_8$ ring-shaped molecular magnets from non-collinear ab initio calculations cond-mat.mtrl-sci · 2026 · author #5
  2. Self-consistent site-dependent DFT+$U$ study of stoichiometric and defective SrMnO$_3$ cond-mat.mtrl-sci · 2018 · author #3
  3. Energetics and cathode voltages of LiMPO$_4$ olivines (M = Fe, Mn) from extended Hubbard functionals cond-mat.mtrl-sci · 2018 · author #1
  4. Hubbard parameters from density-functional perturbation theory cond-mat.str-el · 2018 · author #3
  5. Thermoelasticity of Fe$^{3+}$- and Al-bearing bridgmanite cond-mat.mtrl-sci · 2016 · author #2
  6. Thermoelasticity of Fe2+-bearing bridgmanite cond-mat.mtrl-sci · 2015 · author #5
  7. Searching for high magnetization density in bulk Fe: the new metastable Fe$_6$ phase cond-mat.mtrl-sci · 2014 · author #5
  8. Hubbard-corrected DFT energy functionals: the LDA+U description of correlated systems cond-mat.mtrl-sci · 2013 · author #4
  9. Donor and acceptor levels of organic photovoltaic compounds from first principles cond-mat.mtrl-sci · 2012 · author #6
  10. Role of electronic localization in the phosphorescence of iridium sensitizing dyes cond-mat.mtrl-sci · 2012 · author #4
  11. Origin of magnetic interactions and their influence on the structural properties of Ni2MnGa and related compounds cond-mat.mtrl-sci · 2012 · author #3
  12. First principles study of electronic and structural properties of CuO cond-mat.str-el · 2011 · author #3
  13. Spin-state crossover and hyperfine interactions of ferric iron in MgSiO$_3$ perovskite physics.geo-ph · 2011 · author #3
  14. Koopmans' condition for density-functional theory cond-mat.mtrl-sci · 2010 · author #6
  15. Extended DFT+U+V method with on-site and inter-site electronic interactions cond-mat.str-el · 2009 · author #2
  16. Simulation of Heme using DFT+U: a step toward accurate spin-state energetics cond-mat.soft · 2007 · author #2
  17. Structure and energetics of solvated ferrous and ferric ions: Car-Parrinello molecular dynamics in the DFT+U formalism cond-mat.mtrl-sci · 2007 · author #2
  18. Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach cond-mat.soft · 2006 · author #2
  19. Realistic, quantitative descriptions of electron-transfer reactions: diabatic free-energy surfaces from first-principles molecular dynamics cond-mat.mtrl-sci · 2006 · author #2
  20. A unified electrostatic and cavitation model for first-principles molecular dynamics in solution cond-mat.mtrl-sci · 2005 · author #4
  21. The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M = Fe, Mn, Co, Ni cond-mat.mtrl-sci · 2005 · author #2
  22. Electronic-enthalpy functional for finite systems under pressure cond-mat.mtrl-sci · 2005 · author #1
  23. First-principles prediction of redox potentials in transition-metal compounds with LDA+U cond-mat.mtrl-sci · 2004 · author #2
  24. A linear response approach to the calculation of the effective interaction parameters in the LDA+U method cond-mat.mtrl-sci · 2004 · author #1

Mentions

  • 1503.05983 #5 · backfill · confidence 0.70 Matteo Cococcioni
  • 1410.5875 #5 · backfill · confidence 0.70 Matteo Cococcioni
  • 1309.3355 #4 · backfill · confidence 0.70 Matteo Cococcioni
  • 1210.7973 #6 · backfill · confidence 0.70 Matteo Cococcioni
  • 1209.3703 #4 · backfill · confidence 0.70 Matteo Cococcioni
  • 1203.1553 #3 · backfill · confidence 0.70 Matteo Cococcioni
  • 1107.4399 #3 · backfill · confidence 0.70 Matteo Cococcioni
  • 1101.3819 #3 · backfill · confidence 0.70 Matteo Cococcioni
  • 1008.1934 #6 · backfill · confidence 0.70 Matteo Cococcioni
  • 0907.5272 #2 · backfill · confidence 0.70 Matteo Cococcioni
  • 0705.2743 #2 · backfill · confidence 0.70 Matteo Cococcioni

Frequent Coauthors