The Future of Autonomous Science
ORAL · Invited
Abstract
This talk will discuss the present and future of AI/ML accelerated material discovery, with particular focus on use of synchrotron methods for soft materials. Autonomous experimentation (AE) based on Bayesian optimization was used to automate x-ray scattering experiments. Several examples of successful autonomous experiments in polymer science will be presented, including the use of AE to explore the non-equilibrium self-assembly of block copolymer thin films into non-native morphologies. Finally, we will discuss the intersection of large language models (LLMs) with material discovery; including a domain-specific chatbot, and a vision for future agentic AI workflows for science.
*This work performed by the Center for Functional Nanomaterials (CFN), which is a U.S. Department of Energy Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.
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Presenters
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Kevin G Yager
- Brookhaven National Laboratory (BNL)