{"id":"W2008418858","doi":"10.1063/1.1607955","title":"A coarse grain model for <i>n</i>-alkanes parameterized from surface tension data","year":2003,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":121,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; National Institutes of Health","keywords":"Parameterized complexity; Surface tension; Observable; Scaling; Molecular dynamics; Representation (politics); Statistical physics; Experimental data; Thermodynamics; Surface (topology); Carbon fibers; Materials science; Mathematics; Physical chemistry; Physics; Chemistry; Computational chemistry; Algorithm; Geometry; Statistics","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":[0.0002165125,0.0004414215,0.0007234701,0.0004243715,0.0005577971,0.0007858232,0.001498429,0.001133114,0.002269397],"category_scores_gemma":[0.0007315145,0.0004923093,0.0007009752,0.0005183877,0.0007157155,0.001466905,0.0003641833,0.001016979,0.0003538418],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001437426,"about_ca_system_score_gemma":0.001637499,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01444747,"about_ca_topic_score_gemma":0.01115529,"domain_scores_codex":[0.9999102,0.00001238502,0.000006185483,0.00002513298,0.00002708787,0.00001901708],"domain_scores_gemma":[0.9997668,0.00008796813,0.0000295774,0.00004979133,0.00003637098,0.00002953794],"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":[0.00002641481,0.00002281149,0.0003824195,0.00002126036,0.000009375763,0.0000305073,0.00002095483,0.9910137,0.003185391,0.004343131,0.00009884339,0.0008451762],"study_design_scores_gemma":[0.000006035008,0.000008128748,0.0001005118,0.000001741816,0.000002789084,0.000003955844,0.000003874927,0.9980674,0.0004214325,0.001194351,0.0001853892,0.00000432493],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.57487,0.0003852812,0.4089442,0.0005674412,0.0001111164,0.0003012238,0.001765188,0.0008026393,0.01225299],"genre_scores_gemma":[0.9318274,0.0004195961,0.06076948,0.00008200572,0.00002191637,0.0005246385,0.0009590811,0.0002126507,0.005183185],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01444747,"threshold_uncertainty_score":0.0287267,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06796368554926921,"score_gpt":0.2711216131210314,"score_spread":0.2031579275717622,"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."}}