@article{autonomousheterogeneouscatalystdiscovery, title = {Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin}, author = {Zhilong Song and Zongmin Zhang and Lixue Cheng}, year = {2026}, eprint = {2606.05050}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2606.05050}, }