Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.82876
H2
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_pittsburgh
Final energy-1.8287583101hartree
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_pittsburgh
- Resource type
- quantum processor
- Processor family
- Heron
- Processor model
- ibm_pittsburgh
- Processor revision
- 3
- Qubits
- 156
- Connectivity
- Not recorded
- Runtime execution
- single-job
- Shots
- 1024
- Precision
- 0.03125
- Resilience
- 0
- Submitted
- 2026-08-01T12:09:43+00:00
- Wall time (s)
- 578.859
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)
- 0.0209037
- Signed error (Ha)
- 0.0209037
- Total QPU time (s)
- 54
- Calibration time
- 2026-08-01T11:20:02+00:00
- Mean readout error
- 0.010498046875
- 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
18 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 | -1.7895609985 | 31.7394 | 3 | [0.0] |
| 2 | succeeded | -0.4768861976 | 31.4324 | 3 | [1.0] |
| 3 | succeeded | -0.9519774075 | 31.7907 | 3 | [-1.0] |
| 4 | succeeded | -1.2223752483 | 31.9455 | 3 | [0.49999999999999994] |
| 5 | succeeded | -1.8038222817 | 32.009 | 3 | [-0.25] |
| 6 | succeeded | -1.7615212019 | 31.9849 | 3 | [-0.35] |
| 7 | succeeded | -1.8230867637 | 31.6731 | 3 | [-0.14999999999999997] |
| 8 | succeeded | -1.8052621377 | 31.397 | 3 | [-0.04999999999999996] |
| 9 | succeeded | -1.8128044590 | 31.9538 | 3 | [-0.19999999999999998] |
| 10 | succeeded | -1.8102194873 | 32.0037 | 3 | [-0.12499999999999996] |
| 11 | succeeded | -1.8126914757 | 31.9778 | 3 | [-0.15499999999999997] |
| 12 | succeeded | -1.8072611789 | 31.7907 | 3 | [-0.13999999999999996] |
| 13 | succeeded | -1.8158814818 | 31.6577 | 3 | [-0.15499999999999997] |
| 14 | succeeded | -1.8287583101 | 31.9759 | 3 | [-0.14749999999999996] |
| 15 | succeeded | -1.8122223492 | 31.7932 | 3 | [-0.14249999999999996] |
| 16 | succeeded | -1.8154104449 | 31.6493 | 3 | [-0.14999999999999997] |
| 17 | succeeded | -1.8119868308 | 31.8751 | 3 | [-0.14699999999999996] |
| 18 | succeeded | -1.8287583101 | 31.8919 | 3 | [-0.14849999999999997] |
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-0D3257EA32142E89 | 1024 | 0 | 10 | -1.8358100274 | -1.8497824940 | -1.8213213306 | 5.625 |
| theta_best | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.8189027146 | -1.8382038827 | -1.8059629619 | 6.125 |
| theta_best | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.8237173600 | -1.8376141314 | -1.8100950417 | 2.625 |
| theta_best | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.8552308308 | -1.8598860825 | -1.8497962323 | 6 |
| theta_best | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.8566671976 | -1.8579130182 | -1.8553499687 | 9.375 |
| theta_final | EPOCH-0D3257EA32142E89 | 1024 | 0 | 10 | -1.8388573851 | -1.8558044526 | -1.8273394683 | 5.625 |
| theta_final | EPOCH-2B4918A2E64142FB | 1024 | 0 | 7 | -1.8304104870 | -1.8379683643 | -1.8198986680 | 6.125 |
| theta_final | EPOCH-5882C2993A675671 | 1024 | 0 | 3 | -1.8315506911 | -1.8490702076 | -1.8105660786 | 2.625 |
| theta_final | EPOCH-DE16026B7C747E84 | 1024 | 1 | 3 | -1.8462712922 | -1.8594935248 | -1.8316888287 | 6 |
| theta_final | EPOCH-EB7658141BD7F934 | 1024 | 2 | 3 | -1.8513235491 | -1.8601543891 | -1.8433530644 | 9.375 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.