@misc{indiciae4e1869572d68, title = {Autonomous alloy composition optimization using molecular dynamics guided by a large language model}, author = {Roy, Ankit [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000334519217) and Devanathan, Ram [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000181254237) and Nartu, Mohan Sai Kiran Kumar Yadav [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000341655073) and Joshi, Vineet V. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000176009317)}, year = {2025}, doi = {10.1016/j.scriptamat.2025.117048}, url = {https://www.osti.gov/biblio/3001623}, note = {Source identifier: 3001623} }