MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
Publication
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X. Yan, N. Hudson, H. Park, D. Grzenda, J. G. Pauloski, M. Schwarting, H. Pan, H. Harb, S. Foreman, C. Knight, T. Gibbs, K. Chard, S. Chaudhuri, E. Tajkhorshid, I. Foster, M. Moosavi, L. Ward, and E. A. Huerta, MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow, arXiv, 2025. DOI: 10.48550/arXiv.2501.10651