| Quantum Monte Carlo simulations of solids WMC Foulkes, L Mitas, RJ Needs, G Rajagopal Reviews of Modern Physics 73 (1), 33, 2001 | 2845 | 2001 |
| Tight-binding models and density-functional theory WMC Foulkes, R Haydock Physical review B 39 (17), 12520, 1989 | 817 | 1989 |
| Electronic states in probed by soft-x-ray absorption CT Chen, F Sette, Y Ma, MS Hybertsen, EB Stechel, WMC Foulkes, ... Physical review letters 66 (1), 104, 1991 | 621 | 1991 |
| Ab initio solution of the many-electron Schrödinger equation with deep neural networks D Pfau, JS Spencer, AGDG Matthews, WMC Foulkes Physical review research 2 (3), 033429, 2020 | 552 | 2020 |
| Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions LM Fraser, WMC Foulkes, G Rajagopal, RJ Needs, SD Kenny, ... Physical Review B 53 (4), 1814, 1996 | 287 | 1996 |
| Supercell size scaling of density functional theory formation energies of charged defects NDM Hine, K Frensch, WMC Foulkes, MW Finnis Physical Review B—Condensed Matter and Materials Physics 79 (2), 024112, 2009 | 252 | 2009 |
| Finite-size errors in continuum quantum Monte Carlo calculations ND Drummond, RJ Needs, A Sorouri, WMC Foulkes Physical Review B—Condensed Matter and Materials Physics 78 (12), 125106, 2008 | 247 | 2008 |
| Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit T Dornheim, S Groth, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz Physical Review Letters 117 (15), 156403, 2016 | 177 | 2016 |
| Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions S Groth, T Dornheim, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz Physical review letters 119 (13), 135001, 2017 | 176 | 2017 |
| On the growth of Al2O3 scales AH Heuer, T Nakagawa, MZ Azar, DB Hovis, JL Smialek, B Gleeson, ... Acta Materialia 61 (18), 6670-6683, 2013 | 170 | 2013 |
| Dissociation of high-pressure solid molecular hydrogen: a quantum Monte Carlo and anharmonic vibrational study S Azadi, B Monserrat, WMC Foulkes, RJ Needs Physical review letters 112 (16), 165501, 2014 | 166 | 2014 |
| Model for low-energy electronic states probed by x-ray absorption in high- cuprates MS Hybertsen, EB Stechel, WMC Foulkes, M Schlüter Physical Review B 45 (17), 10032, 1992 | 161 | 1992 |
| The treatment of electronic excitations in atomistic models of radiation damage in metals CP Race, DR Mason, MW Finnis, WMC Foulkes, AP Horsfield, AP Sutton Reports on Progress in Physics 73 (11), 116501, 2010 | 149 | 2010 |
| Finite-size errors in quantum many-body simulations of extended systems PRC Kent, RQ Hood, AJ Williamson, RJ Needs, WMC Foulkes, ... Physical Review B 59 (3), 1917, 1999 | 142 | 1999 |
| Elimination of Coulomb finite-size effects in quantum many-body simulations AJ Williamson, G Rajagopal, RJ Needs, LM Fraser, WMC Foulkes, ... Physical Review B 55 (8), R4851, 1997 | 142 | 1997 |
| The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method JS Spencer, NS Blunt, WMC Foulkes The Journal of chemical physics 136 (5), 2012 | 134 | 2012 |
| Variational and diffusion quantum Monte Carlo calculations at nonzero wave vectors: Theory and application to diamond-structure germanium G Rajagopal, RJ Needs, A James, SD Kenny, WMC Foulkes Physical Review B 51 (16), 10591, 1995 | 126 | 1995 |
| Quantum Monte Carlo calculations for solids using special k points methods G Rajagopal, RJ Needs, S Kenny, WMC Foulkes, A James Physical review letters 73 (14), 1959, 1994 | 122 | 1994 |
| Quantum monte carlo investigation of exchange and correlation in silicon RQ Hood, MY Chou, AJ Williamson, G Rajagopal, RJ Needs, ... Physical review letters 78 (17), 3350, 1997 | 116 | 1997 |
| Density-matrix quantum Monte Carlo method NS Blunt, TW Rogers, JS Spencer, WMC Foulkes Physical Review B 89 (24), 245124, 2014 | 115 | 2014 |
