TY - RPRT TI - Discovery of hydrogen storage molecules using large language models and machine learning AU - Harb, Hassan [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000260163122) AU - Ferrandon, Magali S. [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000325446466) AU - Goetjen, Timothy A. [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000180239107) AU - Lee, Seryeong [Argonne National Laboratory (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000306216024) AU - Farha, Omar K. [Northwestern Univ., Evanston, IL (United States)] (ORCID:0000000299049845) AU - Delferro, Massimiliano [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:000000024443165X) AU - Assary, Rajeev Surendran [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000295713307) PY - 2026 DO - 10.1039/d6dd00102e UR - https://www.osti.gov/biblio/3366582 ID - 3366582 ER -