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.
Titre
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
Publié dans
Digital Discovery
Volume
2
Numéro
5
Pages
1233-1250
Date
2023-10-09
Editeur
Royal Soc Chemistry, Cambridge
ISSN
2635-098X
Grant
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
USorb-DAC Project - Grantham Foundation for the Protection of the Environment
European Union
National Institute of General Medical Sciences
National Center for Advancing Translational Sciences of the National Institutes of Health
Spanish National Research Council (CSIC) through the Programme for internationalization i-LINK 2021
Battery Interface Genome - Materials Acceleration Platform (BIG-MAP)
Spanish Agencia Estatal de Investigacion (AEI) - MCIN/AEI
BEWARE scheme of the Wallonia-Brussels Federation under the European Commission's Marie Curie-Sklodowska Action
European Union NextGenerationEU/PRTR - MCIN/AEI
UK's Engineering and Physical Sciences Research Council (ESPRC)
ESF Investing in your future
NSF
European Union's Horizon 2020 research and innovation programme
National Institute of Standards and Technology
U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division
FWP
U.S. Department of Energy, Office of Science, Office of High Energy Physics
NCCR Catalysis, a National Centre of Competence in Research - Swiss National Science Foundation
Francis Crick Institute - Cancer Research UK
UK Medical Research Council
Wellcome Trust
2226419
2209892
1931306
1764415
1917340
70NANB19H005
51NF40-182892
945363
R35GM137966
U18TR004149
LINKA20412
TED2021-131693B-I00
RYC-2017-21937
957189
847587
Date de création de la notice
2024-02-19