{"id":"W1986998161","doi":"10.1039/c2cp41073g","title":"Isoconfigurational molecular dynamics study of the kinetics of ice crystal growth","year":2012,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Molecular dynamics; Chemical physics; Ice crystals; Kinetics; Realization (probability); Melting point; Ice water; Crystal growth; Growth rate; Folding (DSP implementation); Chemistry; Statistical physics; Materials science; Thermodynamics; Physics; Crystallography; Mathematics; Computational chemistry; Meteorology; Statistics","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":[0.0001407645,0.0001716489,0.0002021111,0.0003443537,0.0001911645,0.0001891014,0.0002307572,0.0001440204,0.0006713056],"category_scores_gemma":[0.0004811211,0.0001047794,0.0002496782,0.0002021327,0.0002426177,0.0003668705,0.0001261973,0.0003831836,0.00006914194],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003437921,"about_ca_system_score_gemma":0.0002187239,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001292657,"about_ca_topic_score_gemma":0.001225231,"domain_scores_codex":[0.9999642,0.000007130657,0.0000014296,0.000009210813,0.00001062091,0.000007356397],"domain_scores_gemma":[0.9998517,0.00005447089,0.00002953972,0.00002130216,0.0000248394,0.00001811275],"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":[0.0004643101,0.0003586427,0.03749632,0.000278451,0.0002075362,0.0003633093,0.0006293053,0.464966,0.4183551,0.04404386,0.0007019969,0.03213524],"study_design_scores_gemma":[0.00001237553,0.0001048193,0.01381588,0.000006493025,0.000012266,0.00006121046,0.00004088063,0.9528921,0.02975938,0.002579752,0.0006956427,0.00001933756],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9843819,0.0001465948,0.01360585,0.0000437528,0.000005717768,0.00001605825,0.00008788047,0.00004710762,0.001665115],"genre_scores_gemma":[0.9950087,0.0001316091,0.00443731,0.000006515522,0.000002504408,0.00002528425,0.0001249454,0.0000145813,0.0002485059],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001292657,"threshold_uncertainty_score":0.002570271,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009909367586262685,"score_gpt":0.2262517253910118,"score_spread":0.2163423578047492,"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."}}