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Configurations and Atomic Energies of Paramagnetic FCC Fe

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/hj3n-0g80
Year: 2026

Configurations and Atomic Energies of Paramagnetic FCC Fe

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/axgv-4y17
Year: 2026

Configurations and Atomic Energies of Dilute Magnetic Semiconductor GaN with Ni

Yang Dan; Dallas R. Trinkle
DOI: 10.18126/jx65-kk33
Year: 2025

Advancing the Self-Assembly of Binary Colloidal Crystals of Tetrahedra and Octahedra with Confinement

Huang, Nathan C.; Skye, Rachael S.; Dshemuchadse, Julia
DOI: 10.18126/tykw-5q20
Year: 2025

Dataset for the article "Enhanced Twist-Averaging Technique for Magnetic Metals: Applications using Quantum Monte Carlo".

Annaberdiyev, Abdulgani; Ganesh, Panchapakesan; Krogel, Jaron T.
Organizations: MDF Open
DOI: 10.18126/aut7-zp3j
Year: 2024

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
Organizations: MDF Open
DOI: 10.18126/359i-7w2p
Year: 2022

High Accuracy Transition Metal Effective Cores for Many-body Diffusion Monte Carlo

Bennett, M. Chandler; Reboredo, Fernando A.; Mitas, Lubos; Krogel, Jaron T.
Organizations: MDF Open
DOI: 10.18126/j7cm-wh84
Year: 2021

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
Organizations: MDF Open
DOI: 10.18126/0l2d-tv94
Year: 2021

Dataset for "Many - body Electronic Structure of LaScO3 by Real Space Quantum Monte Carlo Methods"

Melton, Cody A.; Mitas, Lubos
Organizations: MDF Open
DOI: 10.18126/p35v-tgst
Year: 2020

Dataset for Defect Energetics of Cubic Hafnia from Quantum Monte Carlo Simulations

Chimata, Raghuveer; Shin, Hyeondeok; Benali, Anouar; Heinonen, Olle
DOI: 10.18126/z47n-qh7a
Year: 2019