sample-based-quantum-diagonalization

Replication package for “The gain comes from the solver: energy and spin identity in sample-based quantum diagonalization, from N₂ to iron–sulfur clusters”: scripts, result records and IBM Quantum job records for a combined SQD loop on N₂, [2Fe-2S] and [4Fe-4S], a spin-penalised selected-CI solver, and an exact N₂ window.

Captured weight and boundary leakage bound the error of sample-based spectral functions (arXiv:2608.16436): manuscript, code, data and an adversarial verifier; reproduction gaps declared

Reproduction package for the pre-print on explicitly correlated Gaussian wavefunctions as classical seeds and property references for sample-based quantum diagonalization beyond the Born–Oppenheimer approximation (Zenodo 10.5281/zenodo.22303450)

Replication package for "The energy is the last thing to fail: properties, spin and controls for sample-based quantum diagonalization, from N₂ to an iron–sulfur cluster".

An independent end-to-end reproduction of IBM's Fe4S4 sample-based quantum diagonalization experiment — classical and hardware halves — with the result against the published threshold and the conditions to reproduce it.

Sample-based quantum diagonalization (SQD) with a generative quantum eigensolver (GQE) policy that designs the state-preparation circuits

Fragment-based quantum chemistry on NH3 and water clusters (6-31G): embedding + SQD on a simulator, a gateway emulator and IBM hardware, tested against free classical baselines. A worked, reproducible study with negative results.

Quantum-centric ab initio molecular dynamics: QM/MM trajectories driven by sample-based quantum diagonalization (SQD) on IBM Quantum hardware.