Accelerated chemical science with AI
In light of the pressing need for practical materials and molecular solutions to renewable energy and health problems, to name just two examples, one wonders how to accelerate research and development in the chemical sciences, so as to address the time it takes to bring materials from initial discovery to commercialization. Artificial intelligence (AI)-based techniques, in particular, are having a transformative and accelerating impact on many if not most, technological domains. To shed light on these questions, the authors and participants gathered in person for the ASLLA Symposium on the theme of 'Accelerated Chemical Science with AI' at Gangneung, Republic of Korea. We present the findings, ideas, comments, and often contentious opinions expressed during four panel discussions related to the respective general topics: 'Data', 'New applications', 'Machine learning algorithms', and 'Education'. All discussions were recorded, transcribed into text using Open AI's Whisper, and summarized using LG AI Research's EXAONE LLM, followed by revision by all authors. For the broader benefit of current researchers, educators in higher education, and academic bodies such as associations, publishers, librarians, and companies, we provide chemistry-specific recommendations and summarize the resulting conclusions.
WOS:001129394000001
2023-12-06
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Funder | Grant Number |
NCCR Catalysis | |
KIST | 2021-0-01343 |
IITP Korea | 2021-0-02068 |
Artificial Intelligence Graduate School Program for Seoul National University | RS-2023-00283902 |
NRF of Korea - Ministry of Science and ICT | 180544 |
National Centre of Competence in Research - Swiss National Science Foundation | |
Acceleration Consortium, a Canada First Research Excellence Fund at the University of Toronto | |