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Page 1
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: hautier g. Sci Adv. 2016 Nov 18;2(11):e1600225. doi: 10.1126/sciadv.1600225. eCollection 2016 Nov. Sci Adv. 2016. PMID: 28138514 Free PMC article.
The Limited Predictive Power of the Pauling Rules.
George J, Waroquiers D, Di Stefano D, Petretto G, Rignanese GM, Hautier G. George J, et al. Among authors: hautier g. Angew Chem Int Ed Engl. 2020 May 4;59(19):7569-7575. doi: 10.1002/anie.202000829. Epub 2020 Mar 20. Angew Chem Int Ed Engl. 2020. PMID: 32065708 Free PMC article.
ABINIT: Overview and focus on selected capabilities.
Romero AH, Allan DC, Amadon B, Antonius G, Applencourt T, Baguet L, Bieder J, Bottin F, Bouchet J, Bousquet E, Bruneval F, Brunin G, Caliste D, Côté M, Denier J, Dreyer C, Ghosez P, Giantomassi M, Gillet Y, Gingras O, Hamann DR, Hautier G, Jollet F, Jomard G, Martin A, Miranda HPC, Naccarato F, Petretto G, Pike NA, Planes V, Prokhorenko S, Rangel T, Ricci F, Rignanese GM, Royo M, Stengel M, Torrent M, van Setten MJ, Van Troeye B, Verstraete MJ, Wiktor J, Zwanziger JW, Gonze X. Romero AH, et al. Among authors: hautier g. J Chem Phys. 2020 Mar 31;152(12):124102. doi: 10.1063/1.5144261. J Chem Phys. 2020. PMID: 32241118
ChemEnv: a fast and robust coordination environment identification tool.
Waroquiers D, George J, Horton M, Schenk S, Persson KA, Rignanese GM, Gonze X, Hautier G. Waroquiers D, et al. Among authors: hautier g. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020 Aug 1;76(Pt 4):683-695. doi: 10.1107/S2052520620007994. Epub 2020 Jul 21. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020. PMID: 32831287 Free PMC article.
46 results