@article{mdforgeagenticmoleculardynamicspipelined,
  title = {MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback},
  author = {Zehong Wang and Yijun Ma and Connor R. Schmidt and Tianyi Ma and Weixiang Sun and Ziming Li and Xiaoguang Guo and Chuxu Zhang and Matthew J. Webber and Yanfang Ye},
  year = {2026},
  eprint = {2606.12916},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2606.12916},
}