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Relativistic gold on a quantum computer

NederlandsEnglish

Public research series · August 2026

Why is gold yellow, what role does relativity play, and what can a quantum computer genuinely add? This series follows one auditable route from measured gold optics and relativistic band structure to Qiskit circuits on 4 and 24 qubits.

The central conclusion: the project is quantum-first in design but hybrid in its evidence. Classical electronic-structure calculations define the material model, exact calculations validate the small regimes, and quantum hardware executes the selected dynamics.

What has already been achieved

4 qubitsMaterial-derived hardware experiment

An accepted QE+SOC/Wannier90 Hamiltonian with 12 spinor modes and 11 electrons reduces exactly to a 12-dimensional one-hole space.

0.8581Best Hellinger fidelity

Measured on IBM Kingston after M3 readout correction and exact postselection onto the allowed compact space. This is a hardware smoke test, not a prediction of gold’s colour.

24 qubitsTransport on hardware

An Au-inspired interacting model was exactly validated for one local observable at 0.10 fs and executed through direct IBM and Fire Opal routes.

The evidence map

Layer Status What the evidence supports What it does not yet support
Measured optics Reference Olmon data combined with CIE colour conversion reproduce the known reflectance edge and gold-like colour. This is not a prediction from the quantum circuit.
QE+SOC → Wannier90 Validated for the compact one-particle route The 12 spinor modes are material-derived and checked on the relevant grid. No complete interacting Brillouin-zone optical calculation yet.
4-qubit IBM Executed Real QPU execution of the exact one-hole reduction, including noise analysis. No many-body or quantum advantage claim.
24-qubit transport Executed effective model A local short-time transport observable can be validated and measured with a targeted protocol. The parameters are not yet derived directly from the QE/Wannier matrices.
48–72 qubits Research roadmap The active-space ladder and acceptance tests are explicit. No hardware or advantage result.

Why this series exists

A 2025 paper attempted to combine DFT and VQE for metal clusters. The aluminium calculations succeeded, but the gold route encountered memory limits, open-shell handling and missing relativistic support. That negative result matters because it identifies a formulation that asks too much at once.

Our route begins with a narrower question. If the initial state and Hamiltonian are known and the goal is real-time evolution, a VQE minimum does not need to be found. Symmetry and particle number can sometimes compress the relevant Hilbert space exactly. For the 24-qubit step we also restrict the claim itself: one local observable at one short time.

Reading order

The seven parts progress from the physics to the hardware and finish with a testable definition of quantum advantage. Every part includes its sources and claim boundary.

Project page: Relativistic gold

  1. Part 1: Why gold is a relativistic quantum problem
  2. Part 2: Why the 2025 gold VQE study stalled
  3. Part 3: From QE and spin–orbit coupling to Qiskit
  4. Part 4: Twelve gold spinor modes on four qubits
  5. Part 5: The 24-qubit route: an active window for transport
  6. Part 6: 24 qubits on IBM and with Fire Opal
  7. Part 7: The road to quantum advantage for gold

Sources and reproducibility

  • Pollard, Hines & Clayborne (2025), Exploring Quantum Computing for Metal Cluster Analysis
  • Pyykkö & Desclaux (1979), relativistic effects in chemistry
  • Christensen & Seraphin (1971), band structure and optical properties of gold
  • Olmon et al. (2012), measured optical constants of gold
  • Quantum ESPRESSO methodology
  • Wannier90 methodology
  • IBM Qiskit: PauliEvolutionGate

Project status: 8 August 2026. Numerical values come from the frozen local research artifacts; the original claim boundaries are deliberately preserved.

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