TY  - RPRT
TI  - Autonomous alloy composition optimization using molecular dynamics guided by a large language model
AU  - Roy, Ankit [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000334519217)
AU  - Devanathan, Ram [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000181254237)
AU  - Nartu, Mohan Sai Kiran Kumar Yadav [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000341655073)
AU  - Joshi, Vineet V. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000176009317)
PY  - 2025
DO  - 10.1016/j.scriptamat.2025.117048
UR  - https://www.osti.gov/biblio/3001623
ID  - 3001623
ER  -