{"id":"W2334700304","doi":"10.1021/jz3017705","title":"Simulating Asymmetric Top Impurities in Superfluid Clusters: A <i>para</i>-Water Dopant in <i>para</i>-Hydrogen","year":2012,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry Letters","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Superfluidity; Dopant; Cluster (spacecraft); Impurity; Hydrogen; Molecule; Path integral Monte Carlo; Physics; Hydrogen molecule; Molecular physics; Doping; Rotation (mathematics); Monte Carlo method; Hydrogen bond; Chemical physics; Atomic physics; Condensed matter physics; Path integral formulation; Quantum; Quantum mechanics; Geometry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000237891,0.0002737655,0.0005524645,0.0002711151,0.0005350548,0.0005556118,0.0008631233,0.000796692,0.001234559],"category_scores_gemma":[0.000603653,0.0002441348,0.0003420101,0.0003246781,0.0008456639,0.0003981419,0.0005077917,0.0004530617,0.00007690203],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001021998,"about_ca_system_score_gemma":0.0009204798,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01630013,"about_ca_topic_score_gemma":0.008665059,"domain_scores_codex":[0.999902,0.00001783142,0.000002347882,0.000009399852,0.00002345135,0.0000448613],"domain_scores_gemma":[0.9996582,0.0001451527,0.00004117848,0.00003023712,0.00005488189,0.00007017273],"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":[0.0004505589,0.0001944455,0.004246511,0.00008795217,0.00006440612,0.0004323481,0.000231969,0.9616513,0.02052101,0.009528981,0.000397284,0.002193373],"study_design_scores_gemma":[0.00005657088,0.00009428945,0.0004962298,0.000004349205,0.00001184857,0.00001454238,0.00005595929,0.9939131,0.004587942,0.0004960826,0.0002598402,0.000009298963],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962095,0.00003122068,0.001807871,0.00008189797,0.00001188001,0.00001060375,0.00003436162,0.00002372742,0.001788843],"genre_scores_gemma":[0.9977823,0.00002794931,0.001503872,0.00001973809,0.000003125451,0.00001387194,0.00004063651,0.00001558782,0.0005929772],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01630013,"threshold_uncertainty_score":0.0324105,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01064978683853856,"score_gpt":0.2450292492860603,"score_spread":0.2343794624475217,"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."}}