{"id":"W2302465550","doi":"10.1021/acs.jpcb.5b09052","title":"Simulations of Ice Nucleation by Kaolinite (001) with Rigid and Flexible Surfaces","year":2015,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Soil and Unsaturated Flow","field":"Engineering","cited_by":111,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid","keywords":"Ice nucleus; Nucleation; Kaolinite; Amorphous ice; Materials science; Ice crystals; Chemical physics; Hexagonal crystal system; Surface (topology); Ice formation; Crystallography; Chemistry; Geology; Geometry; Physics; Atmospheric sciences; Meteorology; Metallurgy","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":[0.00006019726,0.00005927714,0.0001057039,0.000006333909,0.00001695763,0.000008909472,0.00006568892,0.00002347,0.000005907454],"category_scores_gemma":[0.00001830129,0.0000356591,0.00001602091,0.00008296987,0.00004158037,0.00009219813,0.000006092976,0.0001338848,0.000001017538],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001214251,"about_ca_system_score_gemma":0.00001174547,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004651222,"about_ca_topic_score_gemma":2.432163e-7,"domain_scores_codex":[0.9996733,0.000008042603,0.0001059191,0.00002604688,0.0001279775,0.0000587063],"domain_scores_gemma":[0.9996141,0.0001045735,0.00006283386,0.0000610272,0.0001016399,0.00005583973],"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":[0.00008331928,0.00005710454,0.00009794655,0.00004447247,0.00006933576,7.462168e-7,0.0006772684,0.4079308,0.5893187,0.000006360054,0.001292508,0.0004214159],"study_design_scores_gemma":[0.0009374718,0.0001093021,0.0002091835,0.00006343349,0.0001103971,0.00001922183,0.0002932949,0.2468548,0.7495894,0.0003759862,0.001320365,0.0001171437],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983178,0.0001800399,0.0001279297,0.00004726535,0.0000117679,0.00001393694,0.000008955566,0.00001347673,0.001278827],"genre_scores_gemma":[0.9997419,0.00001409045,0.00004653894,0.000004402719,0.0001026764,1.055122e-7,0.000002983635,0.000007984222,0.00007934413],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.161076,"threshold_uncertainty_score":0.1454136,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01023787442368061,"score_gpt":0.2183961290005373,"score_spread":0.2081582545768567,"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."}}