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1.
Digit Discov ; 2(5): 1233-1250, 2023 Oct 09.
Artículo en Inglés | MEDLINE | ID: mdl-38013906

RESUMEN

Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.

2.
ACS Macro Lett ; 8(11): 1437-1441, 2019 Nov 19.
Artículo en Inglés | MEDLINE | ID: mdl-35651185

RESUMEN

An automated polymer synthesis platform based on an inline low-field nuclear magnetic resonance spectrometer is developed. Flow chemistry and automated inline analyses are an excellent combination for automated kinetic screening and for self-optimizing reactions with programmable conversion targeting. By monitoring monomer conversion over a continuous range of reactor residence times, the platform is able to construct kinetic profiles of polymerizations in an accurate and efficient way. The machine-assisted self-optimization routine allows the reaction to be stopped at any given preselected conversion, giving rise to unprecedented reproducibility in polymer synthesis.

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