Los Alamos and QC Ware Model Correlated Iron Oxides Using Sample-Based Quantum Diagonalization on IBM Hardware – Quantum Computing Report

In a preprint titled Towards Quantum Computation of Bulk FeO, researchers from Los Alamos National Laboratory (LANL) and QC Ware present a hybrid workflow simulating strongly correlated transition metal oxides on quantum processors. Benchmarked on diatomic iron monoxide (FeO) and rhombic iron oxide dimers (Fe₂O₂), the team coupled ab initio-informed d–p tight-binding models with Sample-based Quantum Diagonalization (SQD) on IBM Quantum’s ibm_miami system, using near-term hardware purely as a Fock-space sampler to reach chemical accuracy where standalone Variational Quantum Eigensolver (VQE) optimizations stall.