Putting error bars on density functional theory
Author:
Funder
Basic Energy Sciences
DOE
HERE program
Publisher
Springer Science and Business Media LLC
Link
https://www.nature.com/articles/s41598-024-69194-w.pdf
Reference76 articles.
1. Morgan, D., Van der Ven, A. & Ceder, G. Li conductivity in LixMPO4 (M= Mn, Fe Co, Ni) olivine materials. Electrochem. Solid-State Lett. 7, A30–A32 (2004).
2. Broderick, S. R., Aourag, H. & Rajan, K. Classification of oxide compounds through data-mining density of states spectra. J. Am. Ceram. Soc. 94, 2974–2980 (2011).
3. Armiento, R., Kozinsky, B., Fornari, M. & Ceder, G. Screening for high-performance piezoelectrics using high-throughput density functional theory. Phys. Rev. B 84, 014103 (2011).
4. Jain, A. et al. A high-throughput infrastructure for density functional theory calculations. Comput. Mater. Sci. 50, 2295–2310 (2011).
5. Hautier, G., Fischer, C. C., Jain, A., Mueller, T. & Ceder, G. Finding nature’s missing ternary oxide compounds using machine learning and density functional theory. Chem. Mater. 22, 3762–3767 (2010).
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