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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 Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
Tiihonen, Juha;
Clay III, Raymond C.;
Krogel, Jaron T.
Data for "Systematic Comparison and Cross-validation of Fixed-Node Diffusion Monte Carlo and Phaseless Auxiliary-Field Quantum Monte Carlo in Solids"
Malone, Fionn D.;
Benali, Anouar;
Morales, Miguel A.;
Caffarel, Michel;
Kent, Paul R. C.;
Shulenburger, Luke
Dataset for Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO2
Ganesh, P.;
Lechermann, Frank;
Kylanpaa, Ilkka;
Krogel, Jaron T.;
Kent, Paul R. C.;
Heinonen, Olle
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 Nanoscale Control of Oxygen Defects and Metal−Insulator Transition in Epitaxial Vanadium Dioxides
Sharma, Yogesh;
Balachandran, Janakiraman;
Sohn, Changhee;
Krogel, Jaron T.;
Ganesh, Panchapakesan;
Collins, Liam;
Ievlev, Anton V.;
Li, Qian;
Gao, Xiang;
Balke, Nina;
Ovchinnikova, Olga S.;
Kalinin, Sergei V.;
Heinonen, Olle;
Lee, Ho Nyung
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.