Quantum Monte Carlo simulations of solids WMC Foulkes, L Mitas, RJ Needs, G Rajagopal Reviews of Modern Physics 73 (1), 33, 2001 | 2302 | 2001 |

Tight-binding models and density-functional theory WMC Foulkes, R Haydock Physical review B 39 (17), 12520, 1989 | 762 | 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 | 558 | 1991 |

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 | 220 | 1996 |

Supercell size scaling of density functional theory formation energies of charged defects NDM Hine, K Frensch, WMC Foulkes, MW Finnis Physical Review B 79 (2), 024112, 2009 | 206 | 2009 |

Finite-size errors in continuum quantum Monte Carlo calculations ND Drummond, RJ Needs, A Sorouri, WMC Foulkes Physical Review B 78 (12), 125106, 2008 | 193 | 2008 |

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 | 142 | 1992 |

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 | 123 | 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 | 122 | 2014 |

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 | 121 | 1997 |

*Ab Initio* Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic LimitT Dornheim, S Groth, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz Physical review letters 117 (15), 156403, 2016 | 120 | 2016 |

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 | 120 | 1999 |

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 | 118 | 2010 |

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 | 114 | 1995 |

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 | 113 | 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), 054110, 2012 | 112 | 2012 |

*Ab initio* solution of the many-electron Schrödinger equation with deep neural networksD Pfau, JS Spencer, AGDG Matthews, WMC Foulkes Physical Review Research 2 (3), 033429, 2020 | 108 | 2020 |

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 | 103 | 1994 |

*Ab initio* Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter ConditionsS Groth, T Dornheim, T Sjostrom, FD Malone, WMC Foulkes, M Bonitz Physical review letters 119 (13), 135001, 2017 | 101 | 2017 |

Symmetry constraints and variational principles in diffusion quantum Monte Carlo calculations of excited-state energies WMC Foulkes, RQ Hood, RJ Needs Physical Review B 60 (7), 4558, 1999 | 99 | 1999 |