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Paper · arXiv

CP-Agent: A Harness-Engineered Agent for Crystal Plasticity Simulation Workflows

Crystal plasticity (CP) simulations predict the mechanical behavior of polycrystalline metals, yet their routine use is hindered by the manual effort of configuring heterogeneous tools, orchestrating multi-step data pipelines, and calibrating constitutive parameters against experiments. These bottlenecks impede productivity in systematic parameter studies, motivating interest in automated workflows. This study presents CP-Agent, a harness-engineered LLM-based agent that autonomously executes complete CP modeling workflows from natural-language tasks. Operating under the ReAct paradigm, the agent reasons about tool selection and sequencing while delegating numerical search to established o...

AuthorsSamuel Onimpa Alfred, Abhishek Kumar, Veera Sundararaghavan
Primary categorycs.AI
Published25 September 2026
Last updated at source25 September 2026
cs.AIcond-mat.mtrl-sci
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