{"id":"W2070855283","doi":"10.1063/1.1642600","title":"Connection between the observable and centroid structural properties of a quantum fluid: Application to liquid para-hydrogen","year":2004,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Path integral Monte Carlo; Path integral formulation; Monte Carlo method; Centroid; Kernel (algebra); Physics; Statistical physics; Deconvolution; Integral equation; Radial distribution function; Superposition principle; Structure factor; Distribution function; Functional derivative; Observable; Quantum Monte Carlo; Hybrid Monte Carlo; Mathematical analysis; Mathematics; Quantum mechanics; Molecular dynamics; Quantum; Geometry; Statistics; Optics; Combinatorics; Markov chain Monte Carlo","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002206358,0.000144912,0.0002702887,0.00001489339,0.00009347268,0.00002065273,0.0003120906,0.00003284367,0.000003119195],"category_scores_gemma":[0.00001359843,0.00008179704,0.00009840062,0.0001577148,0.0001366396,0.0001655394,0.00008043378,0.0002573179,0.000003659754],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004906785,"about_ca_system_score_gemma":0.00006933803,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001573888,"about_ca_topic_score_gemma":4.59835e-7,"domain_scores_codex":[0.9990112,0.00004878975,0.0003997366,0.00009796926,0.0002539328,0.0001883261],"domain_scores_gemma":[0.999191,0.00007694778,0.0002579917,0.000226861,0.0001662032,0.00008099052],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001925129,0.00003977705,0.001228603,0.00002106809,0.0001053616,8.642515e-8,0.0009439519,0.003179057,0.9863205,0.007219836,0.00002052605,0.0007286979],"study_design_scores_gemma":[0.000542519,0.0001750778,0.0003614886,0.00006487073,0.0001564943,0.000006534412,0.0003432911,0.00380992,0.9559575,0.0383886,0.00006276257,0.0001309464],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866179,0.0001682239,0.01193082,0.0009878003,0.00003744193,0.0002197282,0.00001516956,0.000006660508,0.00001627464],"genre_scores_gemma":[0.9991894,0.00000891599,0.0001093897,0.00005399515,0.0006078765,0.000004674666,0.000005838283,0.00001771833,0.000002159425],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03116877,"threshold_uncertainty_score":0.3335586,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0160051122375782,"score_gpt":0.2341506502486609,"score_spread":0.2181455380110827,"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."}}