@inproceedings{wang-etal-2026-mdforge, title = "{MDF}orge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback", author = "Wang, Zehong and Ma, Yijun and Schmidt, Connor R. and Ma, Tianyi and Sun, Weixiang and Li, Ziming and Guo, Xiaoguang and Zhang, Chuxu and Webber, Matthew J. and Ye, Yanfang", editor = "Lee, Hung-Yi and Dev, Sunipa and Li, Jessy and Elliott, Desmond", booktitle = "Proceedings of the 2026 Conference on Empirical Methods in Natural Language Processing", month = oct, year = "2026", address = "Budapest, Hungary", publisher = "Association for Computational Linguistics", url = "https://aclanthology.org/2026.emnlp-main.672/", pages = "15482--15507", ISBN = "979-8-89176-459-0" }