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M. J. Gillan

Identifiers

  • name variant M. J. Gillan 0.60 · backfill

Papers (22)

  1. Perspective: How good is DFT for water? cond-mat.mtrl-sci · 2016 · author #1
  2. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion cond-mat.mtrl-sci · 2013 · author #1
  3. First-principles energetics of water: a many-body analysis cond-mat.mtrl-sci · 2013 · author #1
  4. Density-functional theory study of gramicidin A ion channel geometry and electronic properties q-bio.BM · 2013 · author #3
  5. Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters cond-mat.mtrl-sci · 2012 · author #1
  6. The kinetics of homogeneous melting beyond the limit of superheating cond-mat.stat-mech · 2011 · author #3
  7. Bulk and surface energetics of lithium hydride crystal: benchmarks from quantum Monte Carlo and quantum chemistry cond-mat.mtrl-sci · 2010 · author #7
  8. Ab initio statistical mechanics of surface adsorption and desorption: II. Nuclear quantum effects cond-mat.mtrl-sci · 2010 · author #2
  9. 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 #3
  10. Comment on 'Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase' cond-mat.mtrl-sci · 2008 · author #3
  11. Zero-temperature generalized phase diagram of the 4d transition metals under pressure cond-mat.mtrl-sci · 2008 · author #3
  12. Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations cond-mat.mtrl-sci · 2007 · author #2
  13. Ab initio melting curve of molybdenum by the phase coexistence method cond-mat.mtrl-sci · 2007 · author #2
  14. The Schottky defect formation energy in MgO calculated by diffusion Monte Carlo cond-mat.mtrl-sci · 2005 · author #2
  15. Linear-scaling quantum Monte Carlo with non-orthogonal localized orbitals cond-mat.other · 2004 · author #2
  16. Complementary approaches to the ab initio calculation of melting properties cond-mat.mtrl-sci · 2001 · author #2
  17. Ab-initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core cond-mat.mtrl-sci · 2001 · author #2
  18. Iron under Earth's core conditions: Liquid-state thermodynamics and high-pressure melting curve cond-mat.mtrl-sci · 2001 · author #3
  19. Thermodynamic stability of Fe/O solid solution at inner-core conditions cond-mat.mtrl-sci · 2000 · author #3
  20. Thermodynamics of hexagonal-close-packed iron under Earth's core conditions cond-mat · 1999 · author #3
  21. The Structure, Dynamics and Electronic Structure of Liquid Ag-Se Alloys Investigated by Ab Initio Simulation mtrl-th · 1996 · author #3
  22. Ab-initio simulation of high-temperature liquid selenium mtrl-th · 1995 · author #2

Mentions

  • 1303.0751 #1 · backfill · confidence 0.70 M. J. Gillan
  • 1303.0090 #3 · backfill · confidence 0.70 M. J. Gillan
  • 1204.3757 #1 · backfill · confidence 0.70 M. J. Gillan
  • 1104.2147 #3 · backfill · confidence 0.70 M. J. Gillan
  • 1007.3687 #7 · backfill · confidence 0.70 M. J. Gillan
  • 1004.4513 #2 · backfill · confidence 0.70 M. J. Gillan
  • 0905.0076 #3 · backfill · confidence 0.70 M. J. Gillan
  • 0807.0371 #3 · backfill · confidence 0.70 M. J. Gillan
  • 0803.1904 #3 · backfill · confidence 0.70 M. J. Gillan
  • 0706.1018 #2 · backfill · confidence 0.70 M. J. Gillan
  • 0706.1012 #2 · backfill · confidence 0.70 M. J. Gillan

Frequent Coauthors