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Manolo C. Per
Manolo C. Per
Senior Research Scientist, Data61 CSIRO
Verified email at data61.csiro.au
Title
Cited by
Cited by
Year
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
412013
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
412012
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
372013
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
352017
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
312009
Electron-nucleus cusp correction and forces in quantum Monte Carlo
MC Per, SP Russo, IK Snook
The Journal of chemical physics 128 (11), 2008
312008
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
262014
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
222008
Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo
MC Per, DM Cleland
The Journal of Chemical Physics 146 (16), 2017
212017
Size and shape dependent deprotonation potential and proton affinity of nanodiamond
AS Barnard, MC Per
Nanotechnology 25 (44), 445702, 2014
202014
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
202013
Ab initio thermodynamics calculation of the relative concentration of NV and NV defects in diamond
BT Webber, MC Per, DW Drumm, LCL Hollenberg, SP Russo
Physical Review B—Condensed Matter and Materials Physics 85 (1), 014102, 2012
202012
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
172010
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
162009
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
142012
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
132017
Performance of quantum Monte Carlo for calculating molecular bond lengths
DM Cleland, MC Per
The Journal of chemical physics 144 (12), 2016
132016
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
132015
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
132012
Electron correlation effects in isomers of C20
DM Cleland, EK Fletcher, A Kuperman, MC Per
Journal of Physics: Materials 3 (2), 025006, 2020
122020
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