| 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 | 622 | 2004 |
| 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 | 558 | 2008 |
| 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 | 432 | 2004 |
| 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 | 389 | 2004 |
| Critical knowledge gaps in mass transport through single-digit nanopores: A review and perspective S Faucher, N Aluru, MZ Bazant, D Blankschtein, AH Brozena, J Cumings, ... The Journal of Physical Chemistry C 123 (35), 21309-21326, 2019 | 336 | 2019 |
| 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 | 315 | 2010 |
| 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 | 303 | 2000 |
| Linear scaling computation of the Hartree–Fock exchange matrix E Schwegler, M Challacombe The Journal of chemical physics 105 (7), 2726-2734, 1996 | 296 | 1996 |
| 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 | 271 | 1997 |
| Linear scaling computation of the Fock matrix M Challacombe, E Schwegler The Journal of chemical physics 106 (13), 5526-5536, 1997 | 271 | 1997 |
| 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 | 213 | 2013 |
| 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 | 212 | 2001 |
| Water under pressure E Schwegler, G Galli, F Gygi Physical Review Letters 84 (11), 2429, 2000 | 181 | 2000 |
| Multiphase equation of state for carbon addressing high pressures and temperatures LX Benedict, KP Driver, S Hamel, B Militzer, T Qi, AA Correa, A Saul, ... Physical Review B 89 (22), 224109, 2014 | 180 | 2014 |
| Electronic and structural transitions in dense liquid sodium JY Raty, E Schwegler, SA Bonev Nature 449 (7161), 448-451, 2007 | 174 | 2007 |
| 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 | 174 | 1996 |
| Mass–radius relationships for exoplanets DC Swift, JH Eggert, DG Hicks, S Hamel, K Caspersen, E Schwegler, ... The Astrophysical Journal 744 (1), 59, 2011 | 163 | 2011 |
| 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 | 148 | 2009 |
| 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 | 144 | 2008 |
| 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 | 143 | 2009 |
Giulia GalliLiew Family Professor of Molecular Engineering, Professor of Chemistry,University of ChicagoCorreu electrònic verificat a uchicago.edu