{"id":"W4403587866","doi":"10.48550/arxiv.2409.04427","title":"Analog Quantum Simulation of Coupled Electron-Nuclear Dynamics in Molecules","year":2024,"lang":"en","type":"preprint","venue":"arXiv (Cornell University)","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Research Council Canada; National Research Foundation of Korea; Dalhousie University; National Research Foundation","keywords":"Electron; Physics; Dynamics (music); Quantum; Molecule; Statistical physics; Quantum mechanics","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":[0.0003544624,0.0002050256,0.0003537583,0.0002117563,0.0004790353,0.0004753765,0.001006126,0.0006431175,0.002625829],"category_scores_gemma":[0.001109001,0.0001682015,0.0002535815,0.0002503512,0.0008731119,0.0008308953,0.0008113527,0.0006315137,0.000131072],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000569056,"about_ca_system_score_gemma":0.000541376,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001901937,"about_ca_topic_score_gemma":0.001501504,"domain_scores_codex":[0.9998486,0.00004936033,0.000005399931,0.00001649892,0.00005837161,0.00002170516],"domain_scores_gemma":[0.9996138,0.000255632,0.00002087271,0.00005936855,0.00002776404,0.00002257456],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00006925707,0.00009141672,0.0004664496,0.00004746691,0.00001564251,0.00008344935,0.00007538145,0.871922,0.0050582,0.1136413,0.0003336585,0.008195652],"study_design_scores_gemma":[0.000008112428,0.000007378676,0.00003075759,0.000001055011,9.774016e-7,0.00000419198,0.000003969534,0.9918549,0.0007886528,0.007067834,0.0002302749,0.000001850981],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4556611,0.0002399164,0.5197886,0.000654516,0.0001213441,0.0001389311,0.0001210414,0.0005461723,0.02272838],"genre_scores_gemma":[0.9436826,0.00009922678,0.05374547,0.00006428596,0.00001301426,0.00009043071,0.00003584435,0.00003534192,0.002233765],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002625829,"threshold_uncertainty_score":0.008784235,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02651563387005274,"score_gpt":0.2083299745783182,"score_spread":0.1818143407082655,"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."}}