Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
 
research article

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

Jablonka, Kevin Maik  
•
Ai, Qianxiang
•
Al-Feghali, Alexander
Show more
October 9, 2023
Digital Discovery

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.|We report the findings of a hackathon focused on exploring the diverse applications of large language models in molecular and materials science.

  • Details
  • Metrics
Type
research article
DOI
10.1039/d3dd00113j
Web of Science ID

WOS:001101447000001

Author(s)
Jablonka, Kevin Maik  
Ai, Qianxiang
Al-Feghali, Alexander
Badhwar, Shruti
Bocarsly, Joshua D.
Bran, Andres M.  
Bringuier, Stefan
Brinson, L. Catherine
Choudhary, Kamal
Circi, Defne
Show more
Date Issued

2023-10-09

Publisher

Royal Soc Chemistry

Published in
Digital Discovery
Volume

2

Issue

5

Start page

1233

End page

1250

Subjects

Physical Sciences

•

Technology

•

Prediction

•

Knowledge

•

Energies

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LSMO  
FunderGrant Number

National Science Foundation

DGE-2022040

U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD)

DAC-LBL-Long

MARVEL National Centre for Competence in Research - Swiss National Science Foundation

180544

Show more
Available on Infoscience
February 19, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/204216
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés