Eric Schwegler
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Towards an assessment of the accuracy of density functional theory for first principles simulations of water
JC Grossman, E Schwegler, EW Draeger, F Gygi, G Galli
The Journal of chemical physics 120 (1), 300-311, 2004
5402004
Water confined in nanotubes and between graphene sheets: A first principle study
G Cicero, JC Grossman, E Schwegler, F Gygi, G Galli
Journal of the American Chemical Society 130 (6), 1871-1878, 2008
4012008
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
E Schwegler, JC Grossman, F Gygi, G Galli
The Journal of chemical physics 121 (11), 5400-5409, 2004
3802004
A quantum fluid of metallic hydrogen suggested by first-principles calculations
SA Bonev, E Schwegler, T Ogitsu, G Galli
Nature 431 (7009), 669-672, 2004
3382004
Linear scaling computation of the Hartree–Fock exchange matrix
E Schwegler, M Challacombe
The Journal of chemical physics 105 (7), 2726-2734, 1996
2601996
The solvation of Na+ in water: First-principles simulations
JA White, E Schwegler, G Galli, F Gygi
The Journal of Chemical Physics 113 (11), 4668-4673, 2000
2562000
Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build
E Schwegler, M Challacombe, M Head-Gordon
The Journal of chemical physics 106 (23), 9708-9717, 1997
2381997
Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations
MA Morales, C Pierleoni, E Schwegler, DM Ceperley
Proceedings of the National Academy of Sciences 107 (29), 12799-12803, 2010
2322010
Linear scaling computation of the Fock matrix
M Challacombe, E Schwegler
The Journal of chemical physics 106 (13), 5526-5536, 1997
2321997
A first principles molecular dynamics simulation of the hydrated magnesium ion
FC Lightstone, E Schwegler, RQ Hood, F Gygi, G Galli
Chemical Physics Letters 343 (5-6), 549-555, 2001
1792001
Water under pressure
E Schwegler, G Galli, F Gygi
Physical Review Letters 84 (11), 2429, 2000
1612000
Fast assembly of the Coulomb matrix: A quantum chemical tree code
M Challacombe, E Schwegler, J Almlöf
The Journal of chemical physics 104 (12), 4685-4698, 1996
1561996
Electronic and structural transitions in dense liquid sodium
JY Raty, E Schwegler, SA Bonev
Nature 449 (7161), 448-451, 2007
1422007
β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration
T Ogitsu, E Schwegler, G Galli
Chemical reviews 113 (5), 3425-3449, 2013
1232013
Mass-radius relationships for exoplanets
DC Swift, JH Eggert, DG Hicks, S Hamel, K Caspersen, E Schwegler, ...
The Astrophysical Journal 744 (1), 59, 2011
1232011
Phase separation in hydrogen–helium mixtures at Mbar pressures
MA Morales, E Schwegler, D Ceperley, C Pierleoni, S Hamel, ...
Proceedings of the National Academy of Sciences 106 (5), 1324-1329, 2009
1152009
Dissociation of water under pressure
E Schwegler, G Galli, F Gygi, RQ Hood
Physical Review Letters 87 (26), 265501, 2001
1152001
Melting of ice under pressure
E Schwegler, M Sharma, F Gygi, G Galli
Proceedings of the National Academy of Sciences 105 (39), 14779-14783, 2008
1112008
Imperfect crystal and unusual semiconductor: Boron, a frustrated element
T Ogitsu, F Gygi, J Reed, Y Motome, E Schwegler, G Galli
Journal of the American Chemical Society 131 (5), 1903-1909, 2009
1092009
A first principles simulation of rigid water
M Allesch, E Schwegler, F Gygi, G Galli
The Journal of chemical physics 120 (11), 5192-5198, 2004
952004
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Artiklar 1–20