{"id":"W1994048174","doi":"10.1080/00150193.2012.684972","title":"Molecular Dynamics Simulation of the SmC Phase","year":2012,"lang":"en","type":"article","venue":"Ferroelectrics","topic":"Liquid Crystal Research Advancements","field":"Materials Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Compute Canada","keywords":"Materials science; Molecular dynamics; Dipole; Molecule; Alkyl; Liquid crystal; Moiety; Chemical physics; Phase (matter); Antiferroelectricity; Binary number; Crystallography; Stereochemistry; Physics; Dielectric; Computational chemistry; Organic chemistry; Ferroelectricity; Chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003925207,0.00007907696,0.00009355418,0.00005028754,0.00006885859,0.00001666631,0.0002946986,0.00003547415,0.0001012828],"category_scores_gemma":[0.0006306418,0.00005750784,0.00004361618,0.0004477355,0.00005020306,0.0002337201,0.0001084458,0.0000879092,0.0000335471],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002252039,"about_ca_system_score_gemma":0.00009005409,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007980097,"about_ca_topic_score_gemma":0.00000245955,"domain_scores_codex":[0.9986939,0.00009788659,0.0001766614,0.0001083901,0.0005250318,0.0003981598],"domain_scores_gemma":[0.999302,0.00009059931,0.0001020881,0.0003104595,0.0001119361,0.00008291158],"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":[0.00006877731,0.0002657682,0.0007607269,0.00002382255,0.000005218188,0.000001003727,0.0001367879,0.01305664,0.9798123,0.00260536,0.00004421805,0.003219437],"study_design_scores_gemma":[0.0006004805,0.0001685616,0.0003960336,0.00001006159,0.00001371085,0.000001855008,0.00001739274,0.1621413,0.834295,0.0009420954,0.00130098,0.0001126171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9413597,0.0001870318,0.05710004,0.00004957359,0.0002136133,0.0002258809,0.00001960064,0.00002165605,0.0008229055],"genre_scores_gemma":[0.9993339,0.000003694561,0.0003423975,0.00005885159,0.00003329351,0.000008581708,0.00000720318,0.00001272901,0.000199402],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1490846,"threshold_uncertainty_score":0.2345102,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02506492237562468,"score_gpt":0.3409189813431154,"score_spread":0.3158540589674907,"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."}}