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Page 1
Discovering structure-property correlations: general discussion.
Anker AS, Aspuru-Guzik A, Ben Mahmoud C, Bennett S, Briling KR, Changiarath A, Chong S, Collins CM, Cooper AI, Crusius D, Darmawan KK, Das B, David N, Day GM, Deringer VL, Duarte F, Eardley-Brunt A, Evans ML, Evans R, Fairlamb I, Franklin BA, Frey J, Ganose AM, Goulding M, Hafizi R, Hakkennes M, Hickey N, James G, Jelfs KE, Kalikadien AV, Kapil V, Koczor-Benda Z, Krammer F, Kulik HJ, Kumar V, Kuttner C, Lam E, Lou Y, Mante E, Martin J, Mroz AM, Nematiaram T, Pare CWP, Patra S, Proudfoot J, Ruscic B, Ryder MR, Sakaushi K, Saßmannshausen J, Savoie BM, Schneider N, Schwaller P, Skjelstad BB, Sun W, Szczypiński FT, Torrisi S, Ueltzen K, Vishnoi S, Walsh A, Wang X, Wilson C, Wu R, Zeitler J. Anker AS, et al. Faraday Discuss. 2024 Dec 13. doi: 10.1039/d4fd90062f. Online ahead of print. Faraday Discuss. 2024. PMID: 39670482 No abstract available.
Discovering synthesis targets: general discussion.
Anker AS, Aspuru-Guzik A, Bechtel T, Bigi F, Briling KR, Das B, David N, Day GM, Deringer VL, Dyer M, Eardley-Brunt A, Evans ML, Evans R, Franklin BA, Ganose AM, George J, Goulding M, Hickey N, James G, Kalikadien AV, Kapil V, Kulik HJ, Kumar V, Kuttner C, Lam E, Lederbauer M, Lou Y, Martin J, Marulanda Bran A, Mathea M, Pickard CJ, Ruscic B, Ryder MR, Sabanza Gil V, Schwaller P, Segler MHS, Sun W, Tanovic S, Treyde W, Walsh A, Wu R. Anker AS, et al. Faraday Discuss. 2024 Dec 18. doi: 10.1039/d4fd90064b. Online ahead of print. Faraday Discuss. 2024. PMID: 39692150 No abstract available.
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: anker as. 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.
Monitoring the Structural Changes in Iridium Nanoparticles during Oxygen Evolution Electrocatalysis with Operando X-ray Total Scattering.
Pittkowski RK, Punke S, Anker AS, Bornet A, Magnard NPL, Schlegel N, Graversen LG, Quinson J, Dworzak A, Oezaslan M, Kirkensgaard JJK, Mirolo M, Drnec J, Arenz M, Jensen KMØ. Pittkowski RK, et al. Among authors: anker as. J Am Chem Soc. 2024 Oct 9;146(40):27517-27527. doi: 10.1021/jacs.4c08149. Epub 2024 Sep 29. J Am Chem Soc. 2024. PMID: 39344255 Free PMC article.
20 results