@article{mofadiscoveringmaterialsforcarboncapture,
  title = {MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow},
  author = {Xiaoli Yan and Nathaniel Hudson and Hyun Park and Daniel Grzenda and J. Gregory Pauloski and Marcus Schwarting and Haochen Pan and Hassan Harb and Samuel Foreman and Chris Knight and Tom Gibbs and Kyle Chard and Santanu Chaudhuri and Emad Tajkhorshid and Ian Foster and Mohamad Moosavi and Logan Ward and E. A. Huerta},
  year = {2025},
  eprint = {2501.10651},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2501.10651v1},
}