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Spin audit of SQD/QSCI quantum-chemistry benchmarks on iron–sulfur clusters

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A technical audit of quantum-chemistry benchmarks for iron-sulfur clusters reveals that previous claims regarding utility-scale quantum chemistry may be flawed. The study suggests that calculations failed to converge to the correct spin states, highlighting the need for stricter benchmarking standards.

Why it matters

This research challenges the validity of current quantum computing benchmarks, which is critical for the scientific community's progress in quantum chemistry.

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This is the data-and-code archive for the preprint "Which state are you converging? A spin audit of sample-based quantum diagonalization benchmarks on iron - sulfur clusters."

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