FermiLink is a unified AI agent framework that automates multidomain scientific simulations via separated package knowledge bases and a four-layer progressive disclosure mechanism, reproducing 56% of target figures in benchmarks and generating research-grade results on unpublished problems.
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4 Pith papers cite this work. Polarity classification is still indexing.
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An LLM-orchestrated framework automates the full XANES workflow from natural language to normalized spectra and curated data.
An LLM agent autonomously runs read-plan-compute-compare loops on 111 computational physics papers, raising substantive concerns in 42% of them (97.7% only after execution), and generates a full publishable Comment revising the headline conclusion of a Nature Communications paper on 2D-material MOFs
LARA-HPC introduces a validation-first agentic system with dry-run verification and multi-phase refinement that improves robustness of AI-generated DFT workflows on HPC systems.
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ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis
An LLM-orchestrated framework automates the full XANES workflow from natural language to normalized spectra and curated data.