Prépublication
· 2026 arXiv
EN
GBClaw: An agentic AI framework for atomistic grain boundary research and mechanistic discovery
Agentic artificial intelligence (AI) systems hold immense potential for automating complex workflows in materials discovery and design, but extending them to domain-intensive mechanistic investigations remains challenging. Here, we present GBClaw, an agentic A...
Yazhuo Liu, Kunqing Ding et al.
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