Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.84791
H2
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.8320804033hartree
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
- 2026-08-01T09:02:39+00:00
- Wall time (s)
- 3519.18
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)
- 0.0175816
- Signed error (Ha)
- 0.0175816
- Total QPU time (s)
- 66
- Calibration time
- 2026-08-01T08:18:03+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
22 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 | -1.8247621382 | 30.5371 | 3 | [0.0] |
| 2 | succeeded | -0.5507178222 | 30.6255 | 3 | [1.0] |
| 3 | succeeded | -0.8375105257 | 30.4587 | 3 | [-1.0] |
| 4 | succeeded | -1.3692113173 | 30.5106 | 3 | [0.5] |
| 5 | succeeded | -1.7959085341 | 30.4695 | 3 | [-0.24999999999999997] |
| 6 | succeeded | -1.7723280343 | 30.4776 | 3 | [0.1] |
| 7 | succeeded | -1.8253423375 | 30.6037 | 3 | [-0.10000000000000002] |
| 8 | succeeded | -1.8227248893 | 30.6279 | 3 | [-0.2] |
| 9 | succeeded | -1.8479059881 | 1747.53 | 3 | [-0.05000000000000002] |
| 10 | succeeded | -1.8081112837 | 1159.79 | 3 | [0.04999999999999999] |
| 11 | succeeded | -1.8386863819 | 30.5091 | 3 | [-0.10000000000000002] |
| 12 | succeeded | -1.8227535451 | 30.418 | 3 | [-0.025000000000000012] |
| 13 | succeeded | -1.8324327258 | 30.4398 | 3 | [-0.06000000000000002] |
| 14 | succeeded | -1.8376275042 | 30.5643 | 3 | [-0.040000000000000015] |
| 15 | succeeded | -1.8415278863 | 30.4783 | 3 | [-0.05500000000000002] |
| 16 | succeeded | -1.8355059278 | 30.4843 | 3 | [-0.047500000000000014] |
| 17 | succeeded | -1.8372770921 | 30.452 | 3 | [-0.05100000000000002] |
| 18 | succeeded | -1.8383378802 | 30.516 | 3 | [-0.049000000000000016] |
| 19 | succeeded | -1.8287716828 | 30.527 | 3 | [-0.05050000000000002] |
| 20 | succeeded | -1.8385733987 | 30.4066 | 3 | [-0.049750000000000016] |
| 21 | succeeded | -1.8462497174 | 30.5838 | 3 | [-0.05010000000000002] |
| 22 | succeeded | -1.8320804033 | 30.4429 | 3 | [-0.049900000000000014] |
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 | -1.8280272207 | -1.8402277589 | -1.8187306277 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8346529034 | -1.8411698327 | -1.8308989903 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.8290313262 | -1.8437700875 | -1.8107000761 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8325746099 | -1.8447159820 | -1.8247544966 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.