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Results 1-5 of 5
Issue Date
Title
Author(s)
12-Dec-2017
Dataset for Electronic properties of doped and defective NiO -- a Quantum Monte Carlo study
Shin, Hyeondeok
;
Luo, Ye
;
Ganesh, Panchapakesan
;
Balachandran, Janakiraman
;
Krogel, Jaron T.
;
Kent, Paul R. C.
;
Benali, Anouar
;
Heinonen, Olle
21-Jun-2018
Dataset for "Quantum Monte Carlo calculations of catalytic energy barriers in a metallorganic framework with transition-metal functionalized nodes"
Benali, Anouar
;
Luo, Ye
;
Shin, Hyeondeok
;
Pahls, Dale
;
Heinonen, Olle
21-Jun-2018
Dataset for Zirconia and hafnia polymorphs -- ground state structural properties from diffusion Monte Carlo
Shin, Hyeondeok
;
Benali, Anouar
;
Luo, Ye
;
Crabb, Emily
;
Lopez-Bezanilla, Alejandro
;
Ratcliff, Laura E.
;
Jokisaari, Andrea M.
;
Heinonen, Olle
19-Jul-2018
Dataset for An efficient hybrid orbital representation for quantum Monte Carlo calculations
Luo, Ye
;
Esler, Kenneth P.
;
Kent, Paul R. C.
;
Shulenburger, Luke
6-Feb-2019
Dataset for Compton profile of VO2 across the metal-insulator transition: evidence of a non-Fermi liquid metal
Kylanpaa, Ilkka
;
Luo, Ye
;
Heinonen, Olle
;
Kent, Paul
;
Krogel, Jaron
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Author
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Heinonen, Olle
3
Benali, Anouar
3
Shin, Hyeondeok
2
Kent, Paul R. C.
1
Balachandran, Janakiraman
1
Crabb, Emily
1
Esler, Kenneth P.
1
Ganesh, Panchapakesan
1
Jokisaari, Andrea M.
1
Kent, Paul
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Subject
5
QMCPACK
4
Diffusion Monte Carlo
4
DMC
4
Quantum Monte Carlo
3
Monte Carlo
3
Variational Monte Carlo
3
VMC
2
Density functional theory
2
QMC
1
Compton profile
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1
2019
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2017