Quantum chemistry benchmarks questioned by spin audit

A recent audit of quantum-chemistry benchmarks, specifically sample-based quantum diagonalization (SQD) on iron-sulfur clusters, has raised questions about the validity of previous findings. The audit, which used a rotation-invariant spin audit and exact determinant-space calculations, found that audited executions did not return the named singlet state at a competitive energy. The researchers recommend that measured spin moments should become a required benchmark output for quantum chemistry calculations. AI

IMPACT Raises questions about the reliability of current quantum computing benchmarks for chemistry, potentially impacting the perceived utility of quantum computers for scientific discovery.

RANK_REASON The cluster discusses a scientific paper and its supplementary data, detailing a new analysis of existing quantum chemistry benchmarks. [lever_c_demoted from research: ic=2 ai=0.4]

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• [2Fe-2S]-binding
• [4Fe-4S] cluster assembly
• Hamiltonian operator
• Iron–sulfur clusters/semiquinones in Complex I
• PureStateLabs
• Python
• QScience Connect
• sqd-spin-referee
• Squid Dmel_CG16901
• IBM

• paper
• other

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