CompMat-Bench: Benchmarking AI Agents for Computational Materials Science
CompMat-Bench is introduced, a benchmark of 94 tasks derived from recently published computational materials studies, each asking agents to complete a step toward achieving the study's scientific goal, and provides a basis for comparing agents on the steps of real materials research and for analyzing agent failure mode...
Chen-Mu Zhang, Levi Felix, Jun-Jie Zhang et al.
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