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Results 1-7 of 7
Issue Date
Title
Author(s)
5-Oct-2017
Dataset for Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo
McDaniel, Tyler
;
D'Azevedo, Ed F.
;
Li, Ying Wai
;
Wong, Kwai
;
Kent, Paul R. C.
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
25-Sep-2017
Dataset for Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study
Shin, Hyeondeok
;
Kim, Jeongnim
;
Lee, Hoonkyung
;
Heinonen, Olle
;
Benali, Anouar
;
Kwon, Yongkyung
3-Nov-2017
Dataset for Accuracy of ab initio electron correlation and electron densities in vanadium dioxide
Kylanpaa, Ilkka
;
Balachandran, Janakiraman
;
Ganesh, Panchapakesan
;
Heinonen, Olle
;
Kent, Paul R. C.
;
Krogel, Jaron T.
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
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
6
Heinonen, Olle
4
Benali, Anouar
4
Luo, Ye
4
Shin, Hyeondeok
3
Kent, Paul R. C.
2
Balachandran, Janakiraman
2
Ganesh, Panchapakesan
2
Krogel, Jaron T.
2
Kylanpaa, Ilkka
1
Crabb, Emily
.
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Subject
7
QMCPACK
6
Diffusion Monte Carlo
6
DMC
5
Monte Carlo
4
QMC
4
Variational Monte Carlo
4
VMC
2
Density functional theory
2
Vanadium dioxide
1
Compton profile
.
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Issue Date
1
2019
2
2018
4
2017