Quantum Computing Report

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

Researchers from Los Alamos National Laboratory and QC Ware developed a hybrid quantum-classical workflow to simulate strongly correlated transition metal oxides. They used Sample-based Quantum Diagonalization (SQD) on IBM Quantum hardware, coupled with ab initio-informed d–p tight-binding models, to achieve chemical accuracy in modeling diatomic iron monoxide (FeO) and rhombic iron oxide dimers (Fe2O2). This method successfully recovered experimental ground states and outperformed traditional c

By Quantum Computing Report

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