Multi-Agent Orchestration for High-Throughput Materials Screening on a Leadership-Class System. - Thang Duc Pham; Harikrishna Tummalapalli; Fakhrul Hasan Bhuiyan; Álvaro Vázquez-Mayagoitia; Christine M. Simpson; Riccardo Balin; Venkatram Vishwanath; Murat Keçeli (CoRR, 2026)