@article{multiagentorchestrationforhighthroughput, title = {Multi-Agent Orchestration for High-Throughput Materials Screening on a Leadership-Class System}, author = {Thang Duc Pham and Harikrishna Tummalapalli and Fakhrul Hasan Bhuiyan and Álvaro Vázquez Mayagoitia and Christine Simpson and Riccardo Balin and Venkatram Vishwanath and Murat Keçeli}, year = {2026}, eprint = {2604.07681}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2604.07681}, }