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Database of ab initio L-edge X-ray absorption near edge structure.
Chen Y, Chen C, Zheng C, Dwaraknath S, Horton MK, Cabana J, Rehr J, Vinson J, Dozier A, Kas JJ, Persson KA, Ong SP. Chen Y, et al. Among authors: ong sp. Sci Data. 2021 Jun 11;8(1):153. doi: 10.1038/s41597-021-00936-5. Sci Data. 2021. PMID: 34117266 Free PMC article.
Surface energies of elemental crystals.
Tran R, Xu Z, Radhakrishnan B, Winston D, Sun W, Persson KA, Ong SP. Tran R, et al. Among authors: ong sp. Sci Data. 2016 Sep 13;3:160080. doi: 10.1038/sdata.2016.80. Sci Data. 2016. PMID: 27622853 Free PMC article.
The thermodynamic scale of inorganic crystalline metastability.
Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G. Sun W, et al. Among authors: ong sp. Sci Adv. 2016 Nov 18;2(11):e1600225. doi: 10.1126/sciadv.1600225. eCollection 2016 Nov. Sci Adv. 2016. PMID: 28138514 Free PMC article.
High-throughput computational X-ray absorption spectroscopy.
Mathew K, Zheng C, Winston D, Chen C, Dozier A, Rehr JJ, Ong SP, Persson KA. Mathew K, et al. Among authors: ong sp. Sci Data. 2018 Jul 31;5:180151. doi: 10.1038/sdata.2018.151. Sci Data. 2018. PMID: 30063226 Free PMC article.
A framework for quantifying uncertainty in DFT energy corrections.
Wang A, Kingsbury R, McDermott M, Horton M, Jain A, Ong SP, Dwaraknath S, Persson KA. Wang A, et al. Among authors: ong sp. Sci Rep. 2021 Jul 29;11(1):15496. doi: 10.1038/s41598-021-94550-5. Sci Rep. 2021. PMID: 34326361 Free PMC article.
69 results