QEncode uses fixed suite definitions so every managed run is reproducible and directly comparable.
Suite v3 pipeline: PySCF CASCI (active-space FCI reference) → PennyLane molecular Hamiltonian → Z2 symmetry tapering → COBYLA VQE
Suite v3 — 7 molecules (6 certified + 1 research tier)
Hydrogen
4 (tapered: 1) qubits
[2,2] active space
Hydrogen Fluoride
4 (tapered: 2) qubits
[2,2] active space
Lithium Hydride
12 (tapered: 8) qubits
[4,4] active space
Beryllium Hydride
14 (tapered: 10) qubits
[4,4] active space
Water
14 (tapered: 10) qubits
[4,4] active space
Ammonia
14 (tapered: 10) qubits
[4,4] active space
Nitrogen
24 (tapered: 18) qubits
[6,6] active space — research tier
Maps fermionic operators to qubit operators preserving locality.
Balances locality and non-locality for efficient qubit mapping.
Encodes parity information, enabling qubit reduction techniques.
Unitary Coupled Cluster Singles and Doubles
Chemically-inspired ansatz with high accuracy but deeper circuits.
Hardware-Efficient Ansatz
Shallow circuits optimized for near-term hardware with reduced gate count.
Every benchmark in QEncode uses a fixed configuration: molecule geometry, basis set, encoding, and ansatz are predetermined by suite rules. This eliminates variability across studies and ensures reproducible comparisons. Each result is tagged with a unique configuration string (e.g., qenc-h2-bk-uccsd-v1) for unambiguous reference.
The benchmark specification is public, while managed execution, private benchmarking, and official certification are provided through access-approved plans. This keeps methodology transparent and operations production-grade.
