energy
-1.137268 Ha
reference
-1.137270 Ha
error vs ref
+1.81e-06 Ha
wall time
12.199 s
Convergence
Manifest
{
"schema_version": "1.0",
"run_id": "20260503T224037Z-e6a9ca",
"project_name": "cudaq-molecular-simulation-blueprint",
"project_version": "0.1.0",
"created_at": "2026-05-03T22:40:37.596946Z",
"completed_at": "2026-05-03T22:40:49.828568Z",
"status": "completed",
"backend": "gpu_fp32",
"target_string": "nvidia:fp32",
"seed": 43,
"molecule": {
"name": "h2",
"geometry": [
[
"H",
[
0.0,
0.0,
0.0
]
],
[
"H",
[
0.0,
0.0,
0.7414
]
]
],
"basis": "sto-3g",
"charge": 0,
"multiplicity": 1,
"active_electrons": null,
"active_orbitals": null
},
"optimizer": {
"name": "cobyla",
"max_iterations": 200,
"tolerance": 1e-6,
"initial_parameters": [
0.024422950667176008,
0.06781783200788559,
-0.05855293813520697
]
},
"qubit_count": 4,
"parameter_count": 3,
"system_info": {
"python_version": "3.11.0rc1",
"platform": "Linux-5.15.0-130-generic-x86_64-with-glibc2.35",
"machine": "x86_64",
"processor": "x86_64",
"cpu_count": 16,
"cudaq_version": "0.14.2",
"gpus": [
{
"name": "NVIDIA RTX PRO 6000 Blackwell Server Edition",
"uuid": "GPU-4345a4d8-091c-cac7-8ad3-856b99476ca1",
"driver_version": "580.159.03",
"cuda_version": "13.0",
"memory_total_mib": 97887
}
],
"git_sha": null
},
"result": {
"energy": -1.1372681925260855,
"iterations": 55,
"parameters": [
0.001230356243793478,
-0.0009088213330571563,
0.2269340837829825
],
"wall_time_seconds": 12.198501871999952,
"converged": true,
"reference_energy": -1.13727,
"error_vs_reference_hartree": 1.8074739145390595e-6,
"chemical_accuracy_reached": true
},
"error": null,
"notes": {
"experiment": "h2_vqe",
"hamiltonian_terms": 15,
"n_electrons": 2,
"n_orbitals": 2,
"bond_distance_angstrom": 0.7414,
"reference": {
"molecule": "h2",
"basis": "sto-3g",
"bond_distance_angstrom": 0.7414,
"method": "FCI",
"energy_hartree": -1.13727,
"note": "Standard reference at experimental H2 bond length."
}
}
}
System info
{
"cpu_count": 16,
"cudaq_version": "0.14.2",
"git_sha": null,
"gpus": [
{
"cuda_version": "13.0",
"driver_version": "580.159.03",
"memory_total_mib": 97887,
"name": "NVIDIA RTX PRO 6000 Blackwell Server Edition",
"uuid": "GPU-4345a4d8-091c-cac7-8ad3-856b99476ca1"
}
],
"machine": "x86_64",
"platform": "Linux-5.15.0-130-generic-x86_64-with-glibc2.35",
"processor": "x86_64",
"python_version": "3.11.0rc1"
}