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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.
Investigating the effects of local environment on nitrogen vacancies in high entropy metal nitrides - Data
DeSilva, Charith R.;
Witman, Matthew D.;
Trinkle, Dallas R.
Spin-space averaged Fe–C diffusion calculations from density functional theory
Wirth, Luke J.;
Trinkle, Dallas R.
MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials
Maxson, Tristan;
Soyemi, Ademola;
Zhang, Xinglong;
Chen, Benjamin Wei Jie;
Szilvasi, Tibor
BCC Fe Dislocation Atomic Energies from DFT+EDM and Classical Potentials
Dan, Yang;
Trinkle, Dallas R.
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
Full-stack Quantification of Variability in Predicting Ion Transport Properties using Machine-learned Interatomic Potentials
Rakib, Tawfiqur;
Wagner, Lucas K;
Ertekin, Elif
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