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