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Datasets for "Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo"
Lopez, Annette;
Melton, Cody A.;
Ahn, Jeonghwan;
Rubenstein, Brenda M.;
Krogel, Jaron T.
A new generation of effective core potentials: Selected lanthanides and heavy elements II
Madany, Omar;
Kincaid, Benjamin;
Shaikh, Aqsa;
Morningstar, Elizabeth;
Mitas, Lubos
Data for Graphene-hBN interlayer interactions from quantum Monte Carlo
Kittithat Krongchon Tawfiqur Rakib, Daniel Palmer, Elif Ertekin, and Harley T. Johnson, Lucas K. Wagner
Datasets for Stacking polymorphism of PtSe2: its implication to layer-dependent metal-insulator transitions
Ahn, Jeonghwan;
Hong, Iuegyun;
Lee, Gwangyoung;
Shin, Hyeondeok;
Benali, Anouar;
Kwon, Yongkyung;
Krogel, Jaron T.
Dataset for "Impact of Doping and Disorder on the Electronic Structure of Kagome Metal CoSn"
Annaberdiyev, Abdulgani;
Karabin, Mariia;
Eisenbach, Markus;
Ganesh, P.
Dataset for Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage
Dumi, Amanda;
Upadhyay, Shiv;
Harb, Hassan;
Assary, Rajeev S.;
Sorescu, Dan C.;
Jordan, Kenneth D.;
Benali, Anouar
Systematic Improvement of DMC Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gaps
Shin, Hyeondeok;
Gasperich, Kevin;
Rojas, Tomas;
Ngo, Anh T.;
Krogel, Jaron T.;
Benali, Anouar
Datasets for Correlation Effects on Electronic and Structural Properties of Doped Rare-Earth Trihydrides
Denchfield, Adam;
Shin, Hyeondeok;
Panchapakesan, Ganesh;
Hemley, Russell J.;
Park, Hyowon
A many-body characterization of the fundamental gap in monolayer CrI3
Staros, Daniel;
Gasperich, Kevin;
Annaberdiyev, Abdulgani;
Benali, Anouar;
Ganesh, Panchapakesan;
Rubenstein, Brenda
Dataset for "A many-body characterization of the fundamental gap in monolayer CrI3"
Staros, Daniel;
Gasperich, Kevin;
Annaberdiyev, Abdulgani;
Benali, Anouar;
Ganesh, Panchapakesan;
Rubenstein, Brenda