2 papers
cs.AI2026
An Agentic Orchestration of Atomistic Simulations
Rahul Somasundaram, Adela Habib, Khanh Dang +12
Atomistic simulations are central to materials design, but their execution involves complex, multi-step workflows that require significant human expertise. Here, we present an agen…
cs.LG2025
A Foundation Model for Material Fracture Prediction
Agnese Marcato, Aleksandra Pachalieva, Ryley G. Hill +14
Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet,…