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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: blaiszik b. 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.
Assessment of fine-tuned large language models for real-world chemistry and material science applications.
Van Herck J, Gil MV, Jablonka KM, Abrudan A, Anker AS, Asgari M, Blaiszik B, Buffo A, Choudhury L, Corminboeuf C, Daglar H, Elahi AM, Foster IT, Garcia S, Garvin M, Godin G, Good LL, Gu J, Xiao Hu N, Jin X, Junkers T, Keskin S, Knowles TPJ, Laplaza R, Lessona M, Majumdar S, Mashhadimoslem H, McIntosh RD, Moosavi SM, Mouriño B, Nerli F, Pevida C, Poudineh N, Rajabi-Kochi M, Saar KL, Hooriabad Saboor F, Sagharichiha M, Schmidt KJ, Shi J, Simone E, Svatunek D, Taddei M, Tetko I, Tolnai D, Vahdatifar S, Whitmer J, Wieland DCF, Willumeit-Römer R, Züttel A, Smit B. Van Herck J, et al. Among authors: blaiszik b. Chem Sci. 2024 Nov 22;16(2):670-684. doi: 10.1039/d4sc04401k. eCollection 2025 Jan 2. Chem Sci. 2024. PMID: 39664810 Free PMC article.
FAIR for AI: An interdisciplinary and international community building perspective.
Huerta EA, Blaiszik B, Brinson LC, Bouchard KE, Diaz D, Doglioni C, Duarte JM, Emani M, Foster I, Fox G, Harris P, Heinrich L, Jha S, Katz DS, Kindratenko V, Kirkpatrick CR, Lassila-Perini K, Madduri RK, Neubauer MS, Psomopoulos FE, Roy A, Rübel O, Zhao Z, Zhu R. Huerta EA, et al. Among authors: blaiszik b. Sci Data. 2023 Jul 26;10(1):487. doi: 10.1038/s41597-023-02298-6. Sci Data. 2023. PMID: 37495591 Free PMC article.
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