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Molecular benchmarks, from energy accuracy to QPU cost.

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320 calculations
6 molecular species
9 compute resources
29488 QPU seconds recorded
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SelectMoleculeCompute resource ShotsRuntime executionResilience MappingActive spaceFinal energy (Ha) Absolute error (mHa)QPU time (s)Qubits / depth / 2QCalculated atPublication
LiH ibm_phoenix1024 single-job0 PT2e2o -1.0407200800 12.502863 2 / 43 / 4 2026-09-10T15:43:54+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_phoenix1024 single-job0 PT2e2o -1.0286757081 24.547266 2 / 43 / 4 2026-09-10T15:28:13+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_phoenix1024 single-job0 PT2e2o -1.0411283393 12.094666 2 / 43 / 4 2026-09-10T15:16:33+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_phoenix1024 single-job0 PT2e2o -1.0377017258 15.521263 2 / 43 / 4 2026-09-10T05:34:44+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_phoenix1024 single-job0 PT2e2o -1.0293211709 23.901757 2 / 43 / 4 2026-09-09T17:12:59+00:00DOI 10.48550/arXiv.2609.27704
BeH2 ibm_pittsburgh1024 single-job0 PT4e4o -2.7455179952 1172.23420 5 / 1979 / 451 2026-09-02T06:18:03+00:00DOI 10.48550/arXiv.2609.27704
H2O ibm_pittsburgh1024 single-job0 PT4e4o -4.1470174856 1998.8540 5 / 2131 / 542 2026-09-01T17:16:42+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_pittsburgh1024 single-job0 PT4e4o -4.9849918478 377.658114 4 / 74 / 12 2026-08-15T22:13:21+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_pittsburgh1024 single-job0 PT4e4o -4.8085532708 554.096132 4 / 74 / 12 2026-08-02T18:57:04+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_pittsburgh1024 single-job0 PT2e2o -1.9145727532 11.011660 1 / 5 / 0 2026-08-02T18:43:16+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_pittsburgh1024 single-job0 PT2e2o -1.0298641556 23.358872 2 / 43 / 4 2026-08-02T18:26:32+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_pittsburgh1024 single-job0 PT2e2o -1.8567522575 7.0902163 1 / 5 / 0 2026-08-02T18:02:47+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_pittsburgh1024 single-job0 PT4e4o -4.7721321508 590.517150 4 / 74 / 12 2026-08-02T16:05:09+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_pittsburgh1024 single-job0 PT4e4o -4.9175008018 445.149132 4 / 74 / 12 2026-08-02T07:22:40+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_aachen1024 single-job0 PT2e2o -1.9217671976 3.8171675 1 / 5 / 0 2026-08-01T19:22:59+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_aachen1024 single-job0 PT2e2o -1.0475919792 5.6309481 2 / 43 / 4 2026-08-01T19:08:20+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_aachen1024 single-job0 PT2e2o -1.8396360972 10.02660 1 / 5 / 0 2026-08-01T18:57:44+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_pittsburgh1024 single-job0 PT4e4o -4.8386202905 524.029132 4 / 74 / 12 2026-08-01T18:56:28+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_pittsburgh1024 single-job0 PT2e2o -1.9099424577 15.641969 1 / 5 / 0 2026-08-01T18:21:37+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_pittsburgh1024 single-job0 PT2e2o -1.0335631480 19.659878 2 / 43 / 4 2026-08-01T18:06:37+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_pittsburgh1024 single-job0 PT2e2o -1.8339569093 15.705169 1 / 5 / 0 2026-08-01T17:54:27+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_aachen1024 single-job0 PT4e4o -4.8732939936 489.355150 4 / 74 / 12 2026-08-01T17:10:42+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_aachen1024 single-job0 PT2e2o -1.9201002913 5.4840760 1 / 5 / 0 2026-08-01T17:00:24+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_aachen1024 single-job0 PT2e2o -1.0446498896 8.5730363 2 / 43 / 4 2026-08-01T16:48:19+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_aachen1024 single-job0 PT2e2o -1.8414091719 8.2528863 1 / 5 / 0 2026-08-01T16:37:00+00:00DOI 10.48550/arXiv.2609.27704
H2O ibm_aachen1024 single-job0 PT4e4o -4.0072314163 2138.58720 5 / 2275 / 602 2026-08-01T13:37:34+00:00DOI 10.48550/arXiv.2609.27704
O2 ibm_aachen1024 single-job0 PT4e4o -4.8750009850 487.648138 4 / 74 / 12 2026-08-01T13:10:09+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_pittsburgh1024 single-job0 PT2e2o -1.9190960345 6.4883375 1 / 5 / 0 2026-08-01T12:33:10+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_pittsburgh1024 single-job0 PT2e2o -1.0347901230 18.432860 2 / 43 / 4 2026-08-01T12:19:31+00:00DOI 10.48550/arXiv.2609.27704
BeH2 ibm_aachen1024 single-job0 PT4e4o -2.8633835654 1054.37520 5 / 1935 / 391 2026-08-01T12:11:17+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_pittsburgh1024 single-job0 PT2e2o -1.8287583101 20.903754 1 / 5 / 0 2026-08-01T12:09:43+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_aachen1024 single-job0 PT2e2o -1.9198533422 5.7310266 1 / 5 / 0 2026-08-01T10:18:09+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_aachen1024 single-job0 PT2e2o -1.0460428765 7.1800466 2 / 43 / 4 2026-08-01T10:01:21+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_aachen1024 single-job0 PT2e2o -1.8320804033 17.581666 1 / 5 / 0 2026-08-01T09:02:39+00:00DOI 10.48550/arXiv.2609.27704
HF ibm_pittsburgh1024 single-job0 PT2e2o -1.8915406460 34.043769 1 / 5 / 0 2026-07-31T16:21:02+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_pittsburgh1024 single-job0 PT2e2o -1.0330847547 20.138269 2 / 43 / 4 2026-07-31T01:08:22+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_pittsburgh1024 single-job0 PT2e2o -1.8240269270 25.635169 1 / 5 / 0 2026-07-30T20:14:07+00:00DOI 10.48550/arXiv.2609.27704
LiH ibm_aachen1024 single-job0 PT2e2o -1.0461195336 7.1033960 2 / 43 / 4 2026-07-30T19:17:24+00:00DOI 10.48550/arXiv.2609.27704
H2 ibm_fez256 session0 PT2e,2o -1.8737283298 16.453321 1 / 1 / 0 2026-04-01T00:26:25+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_fez4096 session0 PT2e,2o -1.8425614069 14.713664 1 / 1 / 0 2026-04-01T00:21:59+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_brussels8192 session0 PT2e,2o -1.8421456952 15.1293105 1 / 1 / 0 2026-04-01T00:19:33+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_brussels4096 session0 PT2e,2o -1.8371506553 20.124463 1 / 1 / 0 2026-04-01T00:16:59+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_brussels2048 session0 PT2e,2o -1.8394958959 17.779142 1 / 1 / 0 2026-04-01T00:13:33+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_brussels512 session0 PT2e,2o -1.8436150342 13.6624 1 / 1 / 0 2026-04-01T00:01:25+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_brussels256 session0 PT2e,2o -1.8714736407 14.198620 1 / 1 / 0 2026-03-31T23:55:06+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_kingston4096 session0 PT2e,2o -1.8346981310 22.576963 1 / 1 / 0 2026-03-31T23:33:55+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_kingston256 session0 PT2e,2o -1.8570522103 0.2228221 1 / 1 / 0 2026-03-31T23:14:33+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_kingston64 session0 PT2e,2o -1.8765466912 19.271722 1 / 1 / 0 2026-03-31T23:09:18+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_kingston16 session0 PT2e,2o -1.9500499911 92.77519 1 / 1 / 0 2026-03-31T23:04:22+02:00DOI 10.48550/arXiv.2604.11478
H2 ibm_kingston1024 session0 PT2e,2o -1.8412194270 16.055628 1 / 1 / 0 2026-03-31T22:54:59+02:00DOI 10.48550/arXiv.2604.11478