{"id":"W4410722492","doi":"10.20944/preprints202505.1876.v1","title":"An Elementary Introduction to Classical and Quantum Information in Quantum Chemistry","year":2025,"lang":"en","type":"preprint","venue":"Preprints.org","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"China Scholarship Council; Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China; Canada Research Chairs","keywords":"Quantum; Quantum chemistry; Theoretical physics; Quantum mechanics; Physics; Engineering physics; Molecule","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008791676,0.0009087498,0.0007424799,0.001901919,0.000987543,0.001677988,0.001016752,0.001720482,0.02102152],"category_scores_gemma":[0.002461091,0.0005662091,0.0007364444,0.002899956,0.001980088,0.005389141,0.001206087,0.003740684,0.007731817],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001004019,"about_ca_system_score_gemma":0.001021215,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009464975,"about_ca_topic_score_gemma":0.000907114,"domain_scores_codex":[0.9993748,0.0001502941,0.0000476026,0.0001122963,0.0002456859,0.0000693022],"domain_scores_gemma":[0.9987426,0.0009305509,0.00004755225,0.00008417058,0.000147949,0.00004713682],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00002044785,0.00005045619,0.0002024403,0.0009931445,0.00001725052,0.0001227834,0.000237478,0.001283546,0.001181796,0.8463356,0.07011084,0.07944421],"study_design_scores_gemma":[0.000003870245,0.00004280138,0.000329283,0.0003199816,0.000006987906,0.0003233886,0.00005691369,0.001388337,0.0003090774,0.4504763,0.5467181,0.00002498383],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.004658604,0.3576964,0.3537649,0.01836428,0.01321059,0.0001601652,0.002394244,0.0008346473,0.2489163],"genre_scores_gemma":[0.1116734,0.5327579,0.167624,0.02090725,0.03337618,0.0005287328,0.002472372,0.0007237408,0.1299364],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.02102152,"threshold_uncertainty_score":0.070324,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04009401973621756,"score_gpt":0.329431709169806,"score_spread":0.2893376894335884,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}