Method
- Mapper
- PT
- Ansatz
- UCC
- Optimizer
- COBYLA
- Maximum iterations
- 40
- Best energy (Ha)
- -1.05022
LiH
BeyondH2 hardware VQE and fixed-parameter remeasurement · hardware · ibm_aachen
Final energy-1.0460428765hartree
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
- 2026-08-01T10:01:21+00:00
- Wall time (s)
- 1004.14
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)
- 0.00718004
- Signed error (Ha)
- 0.00718004
- Total QPU time (s)
- 66
- Calibration time
- 2026-08-01T08:18:03+00:00
- Mean readout error
- 0.0035400390625
- 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
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 | -1.0477001344 | 30.4493 | 3 | [0.0] |
| 2 | succeeded | -0.5911836404 | 30.4988 | 3 | [1.0] |
| 3 | succeeded | -0.5863955997 | 30.4547 | 3 | [-1.0] |
| 4 | succeeded | -0.8719437931 | 30.4932 | 3 | [0.5] |
| 5 | succeeded | -1.0198365619 | 30.6067 | 3 | [-0.25] |
| 6 | succeeded | -1.0393459496 | 30.54 | 3 | [0.1] |
| 7 | succeeded | -1.0474317762 | 30.5821 | 3 | [-0.1] |
| 8 | succeeded | -1.0433345308 | 30.5015 | 3 | [0.05000000000000001] |
| 9 | succeeded | -1.0491896585 | 30.4327 | 3 | [-0.025] |
| 10 | succeeded | -1.0482819297 | 30.4627 | 3 | [-0.05] |
| 11 | succeeded | -1.0489160387 | 30.4373 | 3 | [-0.015] |
| 12 | succeeded | -1.0502190996 | 30.5387 | 3 | [-0.035] |
| 13 | succeeded | -1.0426256979 | 30.5152 | 3 | [-0.05500000000000001] |
| 14 | succeeded | -1.0492046428 | 30.6403 | 3 | [-0.025] |
| 15 | succeeded | -1.0499443493 | 60.7473 | 3 | [-0.04000000000000001] |
| 16 | succeeded | -1.0473965685 | 60.488 | 3 | [-0.0325] |
| 17 | succeeded | -1.0477859744 | 60.5431 | 3 | [-0.036000000000000004] |
| 18 | succeeded | -1.0491698464 | 90.7715 | 3 | [-0.034] |
| 19 | succeeded | -1.0448468260 | 60.5468 | 3 | [-0.035500000000000004] |
| 20 | succeeded | -1.0476457592 | 60.5858 | 3 | [-0.03475] |
| 21 | succeeded | -1.0473519469 | 90.8073 | 3 | [-0.035100000000000006] |
| 22 | succeeded | -1.0460428765 | 90.7199 | 3 | [-0.0349] |
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 | -1.0450039419 | -1.0467619270 | -1.0417919026 | 11.125 |
| theta_best | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0462592838 | -1.0490303038 | -1.0428533825 | 13.75 |
| theta_final | EPOCH-981D79BDF527D935 | 1024 | 0 | 10 | -1.0460049289 | -1.0489298374 | -1.0438650054 | 11.125 |
| theta_final | EPOCH-BC7F9D3C329056D0 | 1024 | 0 | 10 | -1.0468021507 | -1.0495963189 | -1.0453458355 | 13.75 |
Means below combine the displayed measurements descriptively. Inspect epochs and replicates in the download before drawing statistical conclusions.