@article{catalystagentautonomousheterogeneouscata,
  title = {Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent},
  author = {Achuth Chandrasekhar and Janghoon Ock and Amir Barati Farimani},
  year = {2026},
  eprint = {2603.01311},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2603.01311},
}