MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
Xiaoli Yan, Nathaniel Hudson,Hyun Park, Daniel Grzenda, J. Gregory Pauloski,Marcus Schwarting, Haochen Pan, Hassan Harb, Samuel Foreman, Chris Knight, Tom Gibbs,Kyle Chard, Santanu Chaudhuri,Emad Tajkhorshid,Ian Foster, Mohamad Moosavi,Logan Ward, E. A. Huerta arxiv（2025）
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