14 examples of how LLMs can transform materials science and chemistry : a reflection on a large language model hackathon

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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.

Medienart:

E-Artikel

Erscheinungsjahr:

2023

Erschienen:

2023

Enthalten in:

Zur Gesamtaufnahme - volume:2

Enthalten in:

Digital discovery - 2(2023), 5 vom: 09. Okt., Seite 1233-1250

Sprache:

Englisch

Beteiligte Personen:

Jablonka, Kevin Maik [VerfasserIn]
Ai, Qianxiang [VerfasserIn]
Al-Feghali, Alexander [VerfasserIn]
Badhwar, Shruti [VerfasserIn]
Bocarsly, Joshua D [VerfasserIn]
Bran, Andres M [VerfasserIn]
Bringuier, Stefan [VerfasserIn]
Brinson, L Catherine [VerfasserIn]
Choudhary, Kamal [VerfasserIn]
Circi, Defne [VerfasserIn]
Cox, Sam [VerfasserIn]
de Jong, Wibe A [VerfasserIn]
Evans, Matthew L [VerfasserIn]
Gastellu, Nicolas [VerfasserIn]
Genzling, Jerome [VerfasserIn]
Gil, María Victoria [VerfasserIn]
Gupta, Ankur K [VerfasserIn]
Hong, Zhi [VerfasserIn]
Imran, Alishba [VerfasserIn]
Kruschwitz, Sabine [VerfasserIn]
Labarre, Anne [VerfasserIn]
Lála, Jakub [VerfasserIn]
Liu, Tao [VerfasserIn]
Ma, Steven [VerfasserIn]
Majumdar, Sauradeep [VerfasserIn]
Merz, Garrett W [VerfasserIn]
Moitessier, Nicolas [VerfasserIn]
Moubarak, Elias [VerfasserIn]
Mouriño, Beatriz [VerfasserIn]
Pelkie, Brenden [VerfasserIn]
Pieler, Michael [VerfasserIn]
Ramos, Mayk Caldas [VerfasserIn]
Ranković, Bojana [VerfasserIn]
Rodriques, Samuel G [VerfasserIn]
Sanders, Jacob N [VerfasserIn]
Schwaller, Philippe [VerfasserIn]
Schwarting, Marcus [VerfasserIn]
Shi, Jiale [VerfasserIn]
Smit, Berend [VerfasserIn]
Smith, Ben E [VerfasserIn]
Van Herck, Joren [VerfasserIn]
Völker, Christoph [VerfasserIn]
Ward, Logan [VerfasserIn]
Warren, Sean [VerfasserIn]
Weiser, Benjamin [VerfasserIn]
Zhang, Sylvester [VerfasserIn]
Zhang, Xiaoqi [VerfasserIn]
Zia, Ghezal Ahmad [VerfasserIn]
Scourtas, Aristana [VerfasserIn]
Schmidt, K J [VerfasserIn]
Foster, Ian [VerfasserIn]
White, Andrew D [VerfasserIn]
Blaiszik, Ben [VerfasserIn]

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Date Revised 30.01.2024

published: Electronic-eCollection

Citation Status PubMed-not-MEDLINE

doi:

10.1039/d3dd00113j

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

NLM365051020