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
48 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 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
36 2017 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
36 2013 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 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
30 2009 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
27 2014 Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo MC Per, DM Cleland
The Journal of Chemical Physics 146 (16), 2017
24 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 Size and shape dependent deprotonation potential and proton affinity of nanodiamond AS Barnard, MC Per
Nanotechnology 25 (44), 445702, 2014
21 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 NVBT 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 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
14 2017 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 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 Electron correlation effects in isomers of C20 DM Cleland, EK Fletcher, A Kuperman, MC Per
Journal of Physics: Materials 3 (2), 025006, 2020
13 2020 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 