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cond-mat.mtrl-sci2026
Agentic Design of Compositional Descriptors via Autoresearch for Materials Science Applications
Matteo Cobelli, Stefano Sanvito
Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitativ…
cond-mat.mtrl-sci2023
Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams
Hugo Rossignol, Michail Minotakis, Matteo Cobelli +1
In the search for novel intermetallic ternary alloys, much of the effort goes into performing a large number of ab-initio calculations covering a wide range of compositions and str…