N2 Dissociation Curve Benchmark
VQE with UCCSD / Contextual Subspace VQE · Chemistry · 12 qubits · Qiskit Nature, PennyLane, TenCirChem
Benchmark of quantum chemistry methods for computing the potential energy curve of molecular nitrogen (N2) dissociation. The N2 triple bond makes this a challenging test of strongly correlated electron methods. Contextual Subspace VQE has been demonstrated on superconducting quantum hardware for the entire N2 potential energy curve, while cyclic VQE variants achieve chemical accuracy even where standard UCCSD errors increase significantly.
Benchmark of quantum chemistry methods for computing the potential energy curve of molecular nitrogen (N2) dissociation. The N2 triple bond makes this a challenging test of strongly correlated electron methods. Contextual Subspace VQE has been demonstrated on superconducting quantum hardware for the entire N2 potential energy curve, while cyclic VQE variants achieve chemical accuracy even where standard UCCSD errors increase significantly.
The N2 triple bond is a stringent test of strongly correlated methods — success here indicates readiness for industrially relevant chemistry problems.
IBM Quantum, simulators
Qiskit Nature, PennyLane, TenCirChem