Manolo C. Per
Manolo C. Per
Senior Research Scientist, Data61 CSIRO
Verified email at data61.csiro.au
Title
Cited by
Cited by
Year
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
302012
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
292013
Anisotropic intracule densities and electron correlation in : A quantum Monte Carlo study
MC Per, SP Russo, IK Snook
The Journal of chemical physics 130 (13), 134103, 2009
262009
Electron-nucleus cusp correction and forces in quantum Monte Carlo
MC Per, SP Russo, IK Snook
The Journal of chemical physics 128 (11), 114106, 2008
262008
Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon
DW Drumm, A Budi, MC Per, SP Russo, LCL Hollenberg
Nanoscale research letters 8 (1), 111, 2013
252013
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
182013
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), 114308, 2008
162008
Size and shape dependent deprotonation potential and proton affinity of nanodiamond
AS Barnard, MC Per
Nanotechnology 25 (44), 445702, 2014
152014
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
142012
Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo
MC Per, DM Cleland
The Journal of chemical physics 146 (16), 164101, 2017
132017
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
Electronic properties of multiple adjacent δ-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
132012
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
122014
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
122009
Thermodynamic stability of neutral Xe defects in diamond
DW Drumm, MC Per, SP Russo, LCL Hollenberg
Physical Review B 82 (5), 054102, 2010
112010
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), 1-11, 2017
102017
Efficient calculation of unbiased expectation values in diffusion quantum Monte Carlo
MC Per, IK Snook, SP Russo
Physical Review B 86 (20), 201107, 2012
102012
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
92017
An analysis of the correlation energy contribution to the interaction energy of inert gas dimers
I Snook, MC Per, SP Russo
The Journal of chemical physics 129 (16), 164109, 2008
92008
Performance of quantum Monte Carlo for calculating molecular bond lengths
DM Cleland, MC Per
The Journal of chemical physics 144 (12), 124108, 2016
82016
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Articles 1–20