Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.05043
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.0475919792hartree
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
- 2026-08-01T19:08:20+00:00
- Wall time (s)
- 874.418
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
- 2
- Physical qubits
- 2
- Parameters
- 1
- Depth
- 43
- Two-qubit gates
- 4
- Hamiltonian terms
- 9
Scientific provenance
- Cohort
- primary heron
- Reference method
- CASCI
- Reference energy (Ha)
- -1.0532229194242344
- Energy convention
- Qiskit Nature active-space qubit Hamiltonian; nuclear and inactive-space constants excluded
- Absolute error (Ha)
- 0.00563094
- Signed error (Ha)
- 0.00563094
- Total QPU time (s)
- 81
- Calibration time
- 2026-08-01T18:46:17+00:00
- Mean readout error
- 0.002685546875
- Mean two-qubit gate error
- 0.0007467594223772578
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 |
|---|---|---|---|
| Li | 0 | 0 | 0 |
| H | 0 | 0 | 1.6204 |
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
27 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 | -1.0452951214 | 31.2391 | 3 | [0.0] |
| 2 | succeeded | -0.5729860911 | 31.072 | 3 | [1.0] |
| 3 | succeeded | -0.5880876079 | 31.1253 | 3 | [-1.0] |
| 4 | succeeded | -0.8671095118 | 31.0356 | 3 | [0.5] |
| 5 | succeeded | -1.0133993213 | 31.1096 | 3 | [-0.25] |
| 6 | succeeded | -1.0405006212 | 30.9449 | 3 | [0.10000000000000002] |
| 7 | succeeded | -1.0413736079 | 31.2072 | 3 | [-0.1] |
| 8 | succeeded | -1.0443862600 | 30.9811 | 3 | [0.05000000000000001] |
| 9 | succeeded | -1.0484035484 | 31.068 | 3 | [-0.025000000000000005] |
| 10 | succeeded | -1.0447066152 | 31.0253 | 3 | [-0.07500000000000001] |
| 11 | succeeded | -1.0464313981 | 31.1294 | 3 | [0.0] |
| 12 | succeeded | -1.0492037880 | 31.0852 | 3 | [-0.035] |
| 13 | succeeded | -1.0474163765 | 61.2366 | 3 | [-0.05500000000000001] |
| 14 | succeeded | -1.0485362539 | 30.9711 | 3 | [-0.025] |
| 15 | succeeded | -1.0484904709 | 30.9316 | 3 | [-0.04000000000000001] |
| 16 | succeeded | -1.0490210963 | 31.1047 | 3 | [-0.0325] |
| 17 | succeeded | -1.0456745433 | 31.0242 | 3 | [-0.036000000000000004] |
| 18 | succeeded | -1.0484709972 | 31.3729 | 3 | [-0.034] |
| 19 | succeeded | -1.0474186238 | 31.1222 | 3 | [-0.035500000000000004] |
| 20 | succeeded | -1.0493422734 | 31.0453 | 3 | [-0.03475] |
| 21 | succeeded | -1.0494569021 | 31.0806 | 3 | [-0.0345] |
| 22 | succeeded | -1.0482895394 | 31.1196 | 3 | [-0.034] |
| 23 | succeeded | -1.0492675001 | 31.024 | 3 | [-0.03475] |
| 24 | succeeded | -1.0486168101 | 31.0234 | 3 | [-0.0344] |
| 25 | succeeded | -1.0504330555 | 31.0213 | 3 | [-0.034600000000000006] |
| 26 | succeeded | -1.0482987240 | 31.096 | 3 | [-0.034800000000000005] |
| 27 | succeeded | -1.0475919792 | 31.1212 | 3 | [-0.0345] |
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 | -1.0468308105 | -1.0483388863 | -1.0456864664 | 11.125 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0464887645 | -1.0484257347 | -1.0430928762 | 13.75 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.0456236461 | -1.0489841871 | -1.0417784915 | 11.125 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0469773946 | -1.0501101765 | -1.0439697291 | 13.75 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.