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Dataset for Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
Tiihonen, Juha;
Clay III, Raymond C.;
Krogel, Jaron T.
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 Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory
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
Dataset for An efficient hybrid orbital representation for quantum Monte Carlo calculations
Luo, Ye;
Esler, Kenneth P.;
Kent, Paul R. C.;
Shulenburger, Luke
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.
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