Projects per year
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Dive into the research topics where Materials Theory is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
Researcher collaborations from the last five years
Based on publications and projects (not datasets). Dive into details by clicking on the dots or
Profiles
Projects
- 1 Active
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Controlled numerics for emergent transients in nonequilibrium quantum matter (CONNEQT)
Maier, T. (PI), Alvarez, G. (CoPI), Doak, P. (CoPI), Dumitrescu, E. (CoPI), Lebrun-Grandie, D. (CoPI), Okamoto, S. (CoPI), Podhorszki, N. (CoPI), Barros, K. (PI), Devereaux, T. P. (PI), Johnston, S. (PI), Li, X. X. (PI) & Yang, C. (CoPI)
09/1/25 → 08/31/29
Project: Research
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Achieving uniaxial magnetic anisotropy in Ce2Fe17N3 through Co- and Sm-substitution
Pokhrel, N., Raja, A., Sales, B. C., Samolyuk, G. D., Schlagel, D., Palasyuk, O., Palasyuk, A. & Parker, D. S., Aug 1 2026, In: Physical Review Materials. 10, 8, 084405.Research output: Contribution to journal › Article › peer-review
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Active space selection with self-healing diffusion Monte Carlo algorithms for periodic solids
Spanedda, N., Krogel, J. T. & Reboredo, F. A., Aug 7 2026, In: Journal of Chemical Physics. 165, 5, 054101.Research output: Contribution to journal › Article › peer-review
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Anisotropic Ferromagnetism in CrAu3Sb6
McGuire, M. A., Pokhrel, N., Cook, M. S., Yan, J., May, A. F., Mandrus, D. & Parker, D. S., Jun 9 2026, In: Chemistry of Materials. 38, 11, p. 5812-5822 11 p.Research output: Contribution to journal › Article › peer-review
Open Access
Datasets
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Li1−xNiO2 Many-body DMC Benchmark Dataset
Ghaffar, A. (Creator) & Krogel, J. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), 2026
Dataset
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Enhanced stability and ordering of 2D MnBi2Se2Te2
Saritas, K. (Creator) & Reboredo, F. A. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), 2026
Dataset
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Thermodynamic Modeling of Intrinsic Defects in MnBi₂Te₄
Ghaffar, A. (Creator), Saritas, K. (Creator) & Reboredo, F. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), 2026
Dataset