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Publications & Reports
November 14, 2025
Journal Article
Autonomous Alloy Composition Optimization Using Molecular Dynamics Guided by a Large Language Model
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Published: November 14, 2025
Citation
Roy A., R. Devanathan, M. Nartu, and V.V. Joshi. 2026.
Autonomous Alloy Composition Optimization Using Molecular Dynamics Guided by a Large Language Model.
Scripta Materialia
272:117048.
PNNL-SA-213620.
doi:10.1016/j.scriptamat.2025.117048
Research topics
Materials Sciences