{"id":"W4414221634","doi":"10.1039/d5sc04076k","title":"Analog quantum simulation of coupled electron-nuclear dynamics in molecules","year":2025,"lang":"en","type":"article","venue":"Chemical Science","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"National Research Council Canada; National Research Foundation of Korea; Dalhousie University; National Research Foundation","keywords":"Ansatz; Hamiltonian (control theory); Quantum; Quantum dynamics; Quantum simulator; Molecular dynamics; Qubit; Quantum computer; Emulation; Quantum algorithm","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003362555,0.0002041677,0.0002911623,0.000205226,0.0003897248,0.0004841752,0.0009564314,0.0006668177,0.003528805],"category_scores_gemma":[0.001046238,0.0001706961,0.0002310773,0.0002449424,0.0007948331,0.0007181386,0.0006501576,0.0004972357,0.0001047993],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006674401,"about_ca_system_score_gemma":0.0005913904,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002455023,"about_ca_topic_score_gemma":0.002826348,"domain_scores_codex":[0.9998965,0.00002898968,0.000003633061,0.0000137816,0.00003844191,0.00001865712],"domain_scores_gemma":[0.9996332,0.0002331307,0.00002543742,0.00004790175,0.00003178765,0.00002852681],"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":[0.00008097562,0.00009757628,0.0005001497,0.00004463118,0.00001871173,0.00008853398,0.00006164438,0.9621223,0.003093868,0.02955648,0.0002893939,0.004045742],"study_design_scores_gemma":[0.000009274043,0.0000099254,0.00002769088,6.724908e-7,0.000001006061,0.000002845758,0.00000415201,0.9978766,0.0004344958,0.001527261,0.0001048001,0.000001279399],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7869043,0.000108242,0.1858184,0.0004771693,0.0001012268,0.0001354185,0.0001490197,0.0004957694,0.02581043],"genre_scores_gemma":[0.9725487,0.00002936653,0.02532496,0.00005198117,0.000006363981,0.00006740605,0.00003489052,0.00002484332,0.00191143],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003528805,"threshold_uncertainty_score":0.011805,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005609042497246881,"score_gpt":0.2819560881101957,"score_spread":0.2763470456129488,"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."}}