{"id":"W4252588887","doi":"10.4171/owr/2019/20","title":"Mathematical Methods in Quantum Molecular Dynamics","year":2020,"lang":"en","type":"article","venue":"Oberwolfach Reports","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Dynamics (music); Quantum dynamics; Quantum; Statistical physics; Molecular dynamics; Computer science; Physics; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002037789,0.0001688231,0.000332545,0.00002003364,0.00004317933,0.00002568122,0.00008464077,0.0000439944,0.000554801],"category_scores_gemma":[0.00006371621,0.0001506225,0.0001255379,0.0002069673,0.00004857027,0.00005227291,0.00009863152,0.0002362233,0.00002387119],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004596298,"about_ca_system_score_gemma":0.00003527007,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006459761,"about_ca_topic_score_gemma":0.000001202067,"domain_scores_codex":[0.9987105,0.00004742742,0.0004564128,0.0003412146,0.0001542441,0.0002902702],"domain_scores_gemma":[0.999447,0.00006757826,0.0001245689,0.0002075913,0.00002231249,0.0001308977],"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":[0.00004878002,0.0007398071,0.1673001,0.0001744513,0.0003282048,0.001305047,0.001916094,0.0002967348,0.1153042,0.6921926,0.001751467,0.01864255],"study_design_scores_gemma":[0.0007027705,0.0001558349,0.003563458,0.00009203386,0.0001235657,0.00005444868,0.001280715,0.08582249,0.2731871,0.6242048,0.009687517,0.0011252],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6909955,0.0001674147,0.2361151,0.002042601,0.0001147311,0.0002472203,0.000007941367,0.00008255666,0.07022694],"genre_scores_gemma":[0.9836563,9.785238e-7,0.01592382,0.0001975172,0.0000781993,0.00003089586,0.00002158032,0.00002033029,0.00007038813],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2926608,"threshold_uncertainty_score":0.6142207,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01931097222685901,"score_gpt":0.3285489164071924,"score_spread":0.3092379441803334,"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."}}