| 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 | 40 | 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 | 39 | 2012 |
| Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon DW 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 | 32 | 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 | 30 | 2008 |
| Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo MC Per, DM Cleland The Journal of Chemical Physics 146 (16), 2017 | 23 | 2017 |
| 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 |
| 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 | 21 | 2014 |
| Ab Initio Electronic Properties of Monolayer Phosphorus Nanowires in Silicon DW Drumm, JS Smith, MC Per, A Budi, LCL Hollenberg, SP Russo Physical review letters 110 (12), 126802, 2013 | 21 | 2013 |
| Size and shape dependent deprotonation potential and proton affinity of nanodiamond AS Barnard, MC Per Nanotechnology 25 (44), 445702, 2014 | 20 | 2014 |
| Ab initio thermodynamics calculation of the relative concentration of NV− and NV 0 defects in diamond BT Webber, MC Per, DW Drumm, LCL Hollenberg, SP Russo Physical Review B 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 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 | 15 | 2009 |
| Performance of quantum Monte Carlo for calculating molecular bond lengths DM Cleland, MC Per The Journal of chemical physics 144 (12), 2016 | 14 | 2016 |
| 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 86 (16), 165123, 2012 | 14 | 2012 |
| 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 86 (20), 201107, 2012 | 13 | 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 | 11 | 2017 |
| Density functional orbitals in quantum Monte Carlo: The importance of accurate densities MC Per, EK Fletcher, DM Cleland The Journal of Chemical Physics 150 (18), 2019 | 10 | 2019 |
