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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: gil mv. Chem Sci. 2024 Nov 22. doi: 10.1039/d4sc04401k. Online ahead of print. Chem Sci. 2024. PMID: 39664810 Free PMC article.
Highlighting the adsorption mechanism of a fluoroquinolone antibiotic from wastewater on carbon xerogel by experiments, characterization, modelling and DFT simulation.
Álvarez-Torrellas S, Garrido-Zoido JM, López-Maldonado EA, Hernández-Abreu AB, Águeda VI, Delgado JA, Gil MV, García J. Álvarez-Torrellas S, et al. Among authors: gil mv. Environ Sci Pollut Res Int. 2024 Nov;31(52):61795-61818. doi: 10.1007/s11356-024-35391-3. Epub 2024 Oct 23. Environ Sci Pollut Res Int. 2024. PMID: 39441511
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: gil mv. 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.
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