TY  - RPRT
TI  - ChemGraph as an agentic framework for computational chemistry workflows
AU  - Pham, Thang Duc [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000252324619)
AU  - Tanikanti, Aditya [Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Keceli, Murat [Argonne National Laboratory (ANL), Argonne, IL (United States)] (ORCID:0000000185889272)
PY  - 2026
DO  - 10.1038/s42004-025-01776-9
UR  - https://www.osti.gov/biblio/3374567
ID  - 3374567
ER  -