Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.85877
H2
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.8396360972hartree
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
- 2026-08-01T18:57:44+00:00
- Wall time (s)
- 625.547
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)
- 0.010026
- Signed error (Ha)
- 0.010026
- Total QPU time (s)
- 60
- Calibration time
- 2026-08-01T18:46:17+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
20 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 | -1.8232284027 | 31.2276 | 3 | [0.0] |
| 2 | succeeded | -0.5448088469 | 31.1993 | 3 | [1.0] |
| 3 | succeeded | -0.8364478272 | 31.0227 | 3 | [-1.0] |
| 4 | succeeded | -1.3486562598 | 31.073 | 3 | [0.5] |
| 5 | succeeded | -1.8125574782 | 30.9342 | 3 | [-0.25] |
| 6 | succeeded | -1.7715046749 | 31.1249 | 3 | [0.10000000000000002] |
| 7 | succeeded | -1.8587665817 | 31.0971 | 3 | [-0.1] |
| 8 | succeeded | -1.8381981516 | 31.0789 | 3 | [-0.2] |
| 9 | succeeded | -1.8447178924 | 31.0488 | 3 | [-0.049999999999999996] |
| 10 | succeeded | -1.8508509238 | 30.938 | 3 | [-0.125] |
| 11 | succeeded | -1.8579394016 | 31.0595 | 3 | [-0.095] |
| 12 | succeeded | -1.8503779765 | 31.0233 | 3 | [-0.11000000000000001] |
| 13 | succeeded | -1.8453000021 | 31.227 | 3 | [-0.095] |
| 14 | succeeded | -1.8493171883 | 30.9613 | 3 | [-0.10250000000000001] |
| 15 | succeeded | -1.8553410572 | 31.1745 | 3 | [-0.099] |
| 16 | succeeded | -1.8493171883 | 31.1239 | 3 | [-0.101] |
| 17 | succeeded | -1.8445934468 | 31.133 | 3 | [-0.0995] |
| 18 | succeeded | -1.8471898808 | 31.0938 | 3 | [-0.10025] |
| 19 | succeeded | -1.8368003240 | 31.0565 | 3 | [-0.0999] |
| 20 | succeeded | -1.8396360972 | 31.172 | 3 | [-0.10010000000000001] |
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 | -1.8382593921 | -1.8550978972 | -1.8297080254 | 5.83333 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8402574511 | -1.8540390194 | -1.8310100632 | 8.33333 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.8347888654 | -1.8554559509 | -1.8165994994 | 5.83333 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.8383671903 | -1.8523865696 | -1.8243964430 | 8.33333 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.