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A Combined First Principles Study of the Structural, Magnetic, and Phonon Properties of Monolayer CrI3
Staros, Daniel;
Hu, Guoxiang;
Tiihonen, Juha;
Nanguneri, Ravindra;
Krogel, Jaron T.;
Bennett, M. Chandler;
Heinonen, Olle G.;
Ganesh, Panchapakesan;
Rubenstein, Brenda
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
Dataset for "Diffusion Monte Carlo Study of the O2 Adsorption on a Single Layer Graphene"
Shin, Hyeondeok;
Luo, Ye;
Benali, Anouar;
Kwon, Yongkyung
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
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
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.
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
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