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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: ai q. 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.
Schedule optimization for chemical library synthesis.
Ai Q, Meng F, Wang R, Klein JC, Godfrey AG, Coley CW. Ai Q, et al. Digit Discov. 2024 Dec 17. doi: 10.1039/d4dd00327f. Online ahead of print. Digit Discov. 2024. PMID: 39829711 Free PMC article.
High-performance 2D electronic devices enabled by strong and tough two-dimensional polymer with ultra-low dielectric constant.
Fang Q, Yi K, Zhai T, Luo S, Lin CY, Ai Q, Zhu Y, Zhang B, Alvarez GA, Shao Y, Zhou H, Gao G, Liu Y, Xu R, Zhang X, Wang Y, Tian X, Zhang H, Han Y, Zhu H, Zhao Y, Tian Z, Zhong Y, Liu Z, Lou J. Fang Q, et al. Among authors: ai q. Nat Commun. 2024 Dec 30;15(1):10780. doi: 10.1038/s41467-024-53935-6. Nat Commun. 2024. PMID: 39737907 Free PMC article.
648 results