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Displacive Jahn-Teller Transition in NaNiO2.
Nagle-Cocco LAV, Genreith-Schriever AR, Steele JMA, Tacconis C, Bocarsly JD, Mathon O, Neuefeind JC, Liu J, O'Keefe CA, Goodwin AL, Grey CP, Evans JSO, Dutton SE. Nagle-Cocco LAV, et al. Among authors: bocarsly jd. J Am Chem Soc. 2024 Oct 30;146(43):29560-29574. doi: 10.1021/jacs.4c09922. Epub 2024 Oct 14. J Am Chem Soc. 2024. PMID: 39401126 Free PMC article.
Jahn-Teller Distortions and Phase Transitions in LiNiO2: Insights from Ab Initio Molecular Dynamics and Variable-Temperature X-ray Diffraction.
Genreith-Schriever AR, Alexiu A, Phillips GS, Coates CS, Nagle-Cocco LAV, Bocarsly JD, Sayed FN, Dutton SE, Grey CP. Genreith-Schriever AR, et al. Among authors: bocarsly jd. Chem Mater. 2024 Feb 20;36(5):2289-2303. doi: 10.1021/acs.chemmater.3c02413. eCollection 2024 Mar 12. Chem Mater. 2024. PMID: 38495898 Free PMC article.
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon.
Jablonka KM, Ai Q, Al-Feghali A, Badhwar S, Bocarsly JD, Bran AM, Bringuier S, Brinson LC, Choudhary K, Circi D, Cox S, de Jong WA, Evans ML, Gastellu N, Genzling J, Gil MV, Gupta AK, Hong Z, Imran A, Kruschwitz S, Labarre A, Lála J, Liu T, Ma S, Majumdar S, Merz GW, Moitessier N, Moubarak E, Mouriño B, Pelkie B, Pieler M, Ramos MC, Ranković B, Rodriques SG, Sanders JN, Schwaller P, Schwarting M, Shi J, Smit B, Smith BE, Van Herck J, Völker C, Ward L, Warren S, Weiser B, Zhang S, Zhang X, Zia GA, Scourtas A, Schmidt KJ, Foster I, White AD, Blaiszik B. Jablonka KM, et al. Among authors: bocarsly jd. Digit Discov. 2023 Aug 8;2(5):1233-1250. doi: 10.1039/d3dd00113j. eCollection 2023 Oct 9. Digit Discov. 2023. PMID: 38013906 Free PMC article. Review.
13 results