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D. Alf\`e

Identifiers

  • name variant D. Alf\`e 0.60 · backfill

Papers (15)

  1. Perspective: How good is DFT for water? cond-mat.mtrl-sci · 2016 · author #2
  2. First-principles energetics of water: a many-body analysis cond-mat.mtrl-sci · 2013 · author #2
  3. Assessment of density functional theory for iron(II) molecules across the spin-crossover transition cond-mat.mtrl-sci · 2012 · author #2
  4. Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters cond-mat.mtrl-sci · 2012 · author #4
  5. The kinetics of homogeneous melting beyond the limit of superheating cond-mat.stat-mech · 2011 · author #1
  6. Bulk and surface energetics of lithium hydride crystal: benchmarks from quantum Monte Carlo and quantum chemistry cond-mat.mtrl-sci · 2010 · author #4
  7. Melting properties of a simple tight-binding model of transition metals: I.The region of half-filled d-band cond-mat.mtrl-sci · 2009 · author #2
  8. Comment on 'Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase' cond-mat.mtrl-sci · 2008 · author #2
  9. Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations cond-mat.mtrl-sci · 2008 · author #2
  10. Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations cond-mat.mtrl-sci · 2007 · author #4
  11. Ab initio melting curve of molybdenum by the phase coexistence method cond-mat.mtrl-sci · 2007 · author #4
  12. The Schottky defect formation energy in MgO calculated by diffusion Monte Carlo cond-mat.mtrl-sci · 2005 · author #1
  13. Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO cond-mat.str-el · 2005 · author #1
  14. Diamond and $\beta$-tin structures of Si studied with quantum Monte Carlo calculations cond-mat.mtrl-sci · 2004 · author #1
  15. An efficient localized basis set for quantum Monte Carlo calculations on condensed matter cond-mat.mtrl-sci · 2004 · author #1

Mentions

  • 1303.0751 #2 · backfill · confidence 0.70 D. Alf\`e
  • 1206.1293 #2 · backfill · confidence 0.70 D. Alf\`e
  • 1204.3757 #4 · backfill · confidence 0.70 D. Alf\`e
  • 1104.2147 #1 · backfill · confidence 0.70 D. Alf\`e
  • 1007.3687 #4 · backfill · confidence 0.70 D. Alf\`e
  • 0905.0076 #2 · backfill · confidence 0.70 D. Alf\`e
  • 0807.0371 #2 · backfill · confidence 0.70 D. Alf\`e
  • 0801.2865 #2 · backfill · confidence 0.70 D. Alf\`e
  • 0706.1018 #4 · backfill · confidence 0.70 D. Alf\`e
  • 0706.1012 #4 · backfill · confidence 0.70 D. Alf\`e

Frequent Coauthors