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cs.AI2025
Agentic Mixture-of-Workflows for Multi-Modal Chemical Search
Tiffany J. Callahan, Nathaniel H. Park, Sara Capponi
The vast and complex materials design space demands innovative strategies to integrate multidisciplinary scientific knowledge and optimize materials discovery. While large language…
cs.AI2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
Nathaniel H. Park, Tiffany J. Callahan, James L. Hedrick +2
Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-per…