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Dataset for "The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations"
Dumi, Amanda;
Upadhyay, Shiv;
Bernasconi, Leonardo;
Shin, Hyeondeok;
Benali, Anouar;
Jordan, Kenneth D.
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 A Variational Approach to Optical Band Gaps
Zhao, Luning;
Neuscamman, Eric
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
Size consistent excited states via algorithmic transformations between variational principles
Shea, Jacqueline A. R.;
Neuscamman, Eric
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