Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.85239
H2
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.8414091719hartree
Shots1024
Runtime executionsingle-job
Resilience0
MappingPT
Active space2e2o
Parity mapping with full symmetry tapering · Shots and precision · Resilience settings
Execution
- Mode
- hardware
- Provider
- IBM Quantum
- Compute resource
- ibm_aachen
- Resource type
- quantum processor
- Processor family
- Heron
- Processor model
- ibm_aachen
- Processor revision
- 3
- Qubits
- 156
- Connectivity
- Not recorded
- Runtime execution
- single-job
- Shots
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2026-08-01T16:37:00+00:00
- Wall time (s)
- 674.809
Molecular system
- Charge
- 0
- Multiplicity
- 1
- Basis
- sto3g
- Active space
- 2e2o
- Active electrons
- 2
- Spatial orbitals
- 2
- Active orbital indices
- Not recorded
- Geometry units
- angstrom
Circuit
- Logical qubits
- 1
- Physical qubits
- 1
- Parameters
- 1
- Depth
- 5
- Two-qubit gates
- 0
- Hamiltonian terms
- 3
Scientific provenance
- Cohort
- primary heron
- Reference method
- CASCI
- Reference energy (Ha)
- -1.8496620506001422
- Energy convention
- Qiskit Nature active-space qubit Hamiltonian; nuclear and inactive-space constants excluded
- Absolute error (Ha)
- 0.00825288
- Signed error (Ha)
- 0.00825288
- Total QPU time (s)
- 63
- Calibration time
- 2026-08-01T16:24:21+00:00
- Mean readout error
- 0.003173828125
- Mean two-qubit gate error
- Not recorded
Software
- Qiskit
- 1.4.3
- Qiskit Aer
- 0.17.1
- Qiskit Algorithms
- 0.3.1
- Qiskit Ibm Runtime
- 0.40.1
- Qiskit Nature
- 0.7.2
Molecular geometry (angstrom)
| Atom | x | y | z |
|---|---|---|---|
| H | 0 | 0 | 0 |
| H | 0 | 0 | 0.7428 |
Dataset publication
Associated articles
- The winner's curse in hardware VQE: drift-differenced remeasurement of finite-shot selection bias DOI 10.48550/arXiv.2609.27704 arXiv 2609.27704 published preprint
Compute access
- Fraunhofer Quantum Now and EQeS · IBM Quantum · allocation: Fraunhofer Quantum Now
Optimization trajectory
21 recorded objective evaluations. Charts use cumulative time so convergence cost remains comparable across calculations.
Download trajectory CSV · Download trajectory JSON
| Attempt | Outcome | Energy (Ha) | Elapsed (s) | Quantum (s) | Parameters |
|---|---|---|---|---|---|
| 1 | succeeded | -1.8399960613 | 30.7748 | 3 | [0.0] |
| 2 | succeeded | -0.5465819216 | 60.862 | 3 | [1.0] |
| 3 | succeeded | -0.8783813014 | 30.6056 | 3 | [-1.0] |
| 4 | succeeded | -1.2839236166 | 30.6203 | 3 | [0.49999999999999994] |
| 5 | succeeded | -1.8201189033 | 30.5713 | 3 | [-0.24999999999999994] |
| 6 | succeeded | -1.7737487865 | 30.5897 | 3 | [0.1] |
| 7 | succeeded | -1.8487274370 | 30.5665 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.8223725668 | 30.5839 | 3 | [-0.2] |
| 9 | succeeded | -1.8523923008 | 30.6307 | 3 | [-0.05000000000000002] |
| 10 | succeeded | -1.8316112768 | 30.4885 | 3 | [-6.938893903907228e-18] |
| 11 | succeeded | -1.8241628349 | 30.4962 | 3 | [-0.07500000000000001] |
| 12 | succeeded | -1.8376332353 | 30.5761 | 3 | [-0.04500000000000001] |
| 13 | succeeded | -1.8455412517 | 30.6221 | 3 | [-0.06000000000000002] |
| 14 | succeeded | -1.8474311304 | 30.6228 | 3 | [-0.04500000000000001] |
| 15 | succeeded | -1.8381023618 | 30.6597 | 3 | [-0.05250000000000002] |
| 16 | succeeded | -1.8362124831 | 30.648 | 3 | [-0.049000000000000016] |
| 17 | succeeded | -1.8305447575 | 30.5393 | 3 | [-0.05100000000000002] |
| 18 | succeeded | -1.8481415065 | 30.6428 | 3 | [-0.049500000000000016] |
| 19 | succeeded | -1.8435364794 | 30.6094 | 3 | [-0.05025000000000002] |
| 20 | succeeded | -1.8325533506 | 30.6535 | 3 | [-0.049900000000000014] |
| 21 | succeeded | -1.8414091719 | 30.5318 | 3 | [-0.05010000000000002] |
Independent fixed-parameter remeasurements
These measurements reevaluate saved parameter vectors without running the optimizer. They are kept separate from the optimization trajectory.
| Vector | Epoch | Shots | Resilience | Measurements | Mean energy (Ha) | Minimum (Ha) | Maximum (Ha) | Allocated QPU time (s) |
|---|---|---|---|---|---|---|---|---|
| theta_best | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.8314759150 | -1.8430635321 | -1.8216851154 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8327754692 | -1.8443617491 | -1.8228646179 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.8324093650 | -1.8429429073 | -1.8223954914 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8313591110 | -1.8435345690 | -1.8176717499 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.