Delocalized oxygen as the origin of two-level defects in Josephson junctions TC DuBois, MC Per, SP Russo, JH Cole Physical review letters 110 (7), 077002, 2013 | 41 | 2013 |

How important is orbital choice in single-determinant diffusion quantum Monte Carlo calculations? MC Per, KA Walker, SP Russo Journal of Chemical Theory and Computation 8, 2255-2259, 2012 | 41 | 2012 |

*Ab initio* calculation of valley splitting in monolayer *δ*-doped phosphorus in siliconDW Drumm, A Budi, MC Per, SP Russo, LC L Hollenberg Nanoscale research letters 8, 1-11, 2013 | 37 | 2013 |

Ab initio calculation of energy levels for phosphorus donors in silicon JS Smith, A Budi, MC Per, N Vogt, DW Drumm, LCL Hollenberg, JH Cole, ... Scientific reports 7 (1), 6010, 2017 | 35 | 2017 |

Anisotropic intracule densities and electron correlation in H2: a quantum Monte Carlo study MC Per, SP Russo, IK Snook The Journal of chemical physics 130 (13), 2009 | 31 | 2009 |

Electron-nucleus cusp correction and forces in quantum Monte Carlo MC Per, SP Russo, IK Snook The Journal of chemical physics 128 (11), 2008 | 31 | 2008 |

Molecular ionization and deprotonation energies as indicators of functional coating performance M Breedon, MC Per, IS Cole, AS Barnard Journal of Materials Chemistry A 2 (39), 16660-16668, 2014 | 26 | 2014 |

Quantum Monte Carlo calculations of the potential energy curve of the helium dimer R Springall, MC Per, SP Russo, IK Snook The Journal of chemical physics 128 (11), 2008 | 22 | 2008 |

Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo MC Per, DM Cleland The Journal of Chemical Physics 146 (16), 2017 | 21 | 2017 |

Size and shape dependent deprotonation potential and proton affinity of nanodiamond AS Barnard, MC Per Nanotechnology 25 (44), 445702, 2014 | 20 | 2014 |

*Ab Initio* Electronic Properties of Monolayer Phosphorus Nanowires in SiliconDW Drumm, JS Smith, MC Per, A Budi, LCL Hollenberg, SP Russo Physical review letters 110 (12), 126802, 2013 | 20 | 2013 |

*Ab initio* thermodynamics calculation of the relative concentration of NV and NV defects in diamondBT Webber, MC Per, DW Drumm, LCL Hollenberg, SP Russo Physical Review B—Condensed Matter and Materials Physics 85 (1), 014102, 2012 | 20 | 2012 |

Thermodynamic stability of neutral Xe defects in diamond DW Drumm, MC Per, SP Russo, LCL Hollenberg Physical Review B—Condensed Matter and Materials Physics 82 (5), 054102, 2010 | 17 | 2010 |

Some comments on the DFT+ D method IK Snook, MC Per, A Seyed-Razavi, SP Russo Chemical Physics Letters 480 (4-6), 327-329, 2009 | 16 | 2009 |

Electronic properties of multiple adjacent -doped Si:P layers: The approach to monolayer confinement A Budi, DW Drumm, MC Per, A Tregonning, SP Russo, LCL Hollenberg Physical Review B—Condensed Matter and Materials Physics 86 (16), 165123, 2012 | 14 | 2012 |

Efficient protocol for quantum M onte C arlo calculations of hydrogen abstraction barriers: Application to methanol ET Swann, ML Coote, AS Barnard, MC Per International Journal of Quantum Chemistry 117 (9), e25361, 2017 | 13 | 2017 |

Performance of quantum Monte Carlo for calculating molecular bond lengths DM Cleland, MC Per The Journal of chemical physics 144 (12), 2016 | 13 | 2016 |

Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes H Shi, RJ Rees, MC Per, AS Barnard Nanoscale 7 (5), 1864-1871, 2015 | 13 | 2015 |

Efficient calculation of unbiased expectation values in diffusion quantum Monte Carlo MC Per, IK Snook, SP Russo Physical Review B—Condensed Matter and Materials Physics 86 (20), 201107, 2012 | 13 | 2012 |

Electron correlation effects in isomers of C20 DM Cleland, EK Fletcher, A Kuperman, MC Per Journal of Physics: Materials 3 (2), 025006, 2020 | 12 | 2020 |