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The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 using correlated methods
Annaberdiyev, Abdulgani;
Mitas, Lubos;
Krogel, Jaron T.;
Ganesh, Panchapakesan
Electronic structure of alpha-RuCl3 by fixed-node and fixed-phase diffusion Monte Carlo methods
Annaberdiyev, Abdulgani;
Melton, Cody A.;
Wang, Guangming;
Mitas, Lubos
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.
Foundry - Approaching QMC quality energetics throughout chemical space using scalable quantum machine learning
Huang, Bing;
von Lilienfeld, O.;
Krogel, Jaron T;
Benali, Anouar
Surrogate Hessian Accelerated Structural Optimization for Stochastic Electronic Structure Theories
Tiihonen, Juha;
Kent, Paul R. C.;
Krogel, Jaron T.
Approaching QMC quality energetics throughout chemical space using scalable quantum machine learning
Huang, Bing;
von Lilienfeld, O. Anatole;
Krogel, Jaron T.;
Benali, Anouar
Dataset for "A new generation of effective core potentials from correlated and spin-orbit calculations: selected heavy elements"
Wang, Guangming;
Kincaid, Benjamin;
Zhou, Haihan;
Annaberdiyev, Abdulgani;
Bennett, M. Chandler;
Krogel, Jaron T.;
Mitas, Lubos
Dataset for "Assessing the accuracy of compound formation energies with quantum Monte Carlo"
Issacs, Eric B.;
Shin, Hyeondeok;
Annaberdiyev, Abdulgani;
Wolverton, Chris;
Mitas, Lubos;
Benali, Anouar;
Heinonen, Olle
Dataset for "Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods"
Shin, Hyeondeok;
Krogel, Jaron T.;
Gasperich, Kevin;
Kent, Paul R. C.;
Benali, Anouar;
Heinonen, Olle
Dataset for Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
Tiihonen, Juha;
Clay III, Raymond C.;
Krogel, Jaron T.