16 citations · 41 across the 10 of their papers we have counts for
3 papers · 1 filter
Steering an Active Learning Workflow Towards Novel Materials Discovery via Queue Prioritization
Marcus Schwarting, Logan Ward, Nathaniel Hudson +5
Generative AI poses both opportunities and risks for solving inverse design problems in the sciences. Generative tools provide the ability to expand and refine a search space auton…
Advances and Challenges in Foundation Agents: From Brain-Inspired Intelligence to Evolutionary, Collaborative, and Safe Systems
Bang Liu, Xinfeng Li, Jiayi Zhang +45
The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated…
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
Xiaoli Yan, Nathaniel Hudson, Hyun Park +15
We present MOFA, an open-source generative AI (GenAI) plus simulation workflow for high-throughput generation of metal-organic frameworks (MOFs) on large-scale high-performance com…