Quantum-Centric Chemistry Beyond Exact Diagonalization (IBM Heron + Fugaku)
Sample-based quantum diagonalization (SQD) with classical supercomputer post-processing · Chemistry · 77 qubits · Qiskit + ffsim + custom SQD pipeline
Quantum-centric supercomputing benchmark coupling an IBM Heron quantum processor with the Fugaku classical supercomputer to compute ground-state electronic structure of molecules beyond what exact diagonalization can reach: N2 dissociation and [2Fe-2S] and [4Fe-4S] iron–sulfur clusters. Circuits used up to 77 qubits and 10,570 two-qubit gates; the classical side applied sample-based quantum diagonalization to project noisy quantum samples onto chemically meaningful subspaces. This is one of the first end-to-end benchmarks of the quantum-centric-supercomputing architecture on a real chemistry target set.
Quantum-centric supercomputing benchmark coupling an IBM Heron quantum processor with the Fugaku classical supercomputer to compute ground-state electronic structure of molecules beyond what exact diagonalization can reach: N2 dissociation and [2Fe-2S] and [4Fe-4S] iron–sulfur clusters. Circuits used up to 77 qubits and 10,570 two-qubit gates; the classical side applied sample-based quantum diagonalization to project noisy quantum samples onto chemically meaningful subspaces. This is one of the first end-to-end benchmarks of the quantum-centric-supercomputing architecture on a real chemistry target set.
Extends quantum chemistry benchmarks past the exact-diagonalization frontier onto iron–sulfur clusters — a biologically relevant, historically hard target — inside a credible quantum-classical workflow.
IBM Heron superconducting processor + RIKEN Fugaku supercomputer
Qiskit + ffsim + custom SQD pipeline