{"id":"W2006718210","doi":"10.1002/qua.560020731","title":"Surface and interface states of composite crystals","year":2009,"lang":"en","type":"article","venue":"International Journal of Quantum Chemistry","topic":"Thermodynamic and Structural Properties of Metals and Alloys","field":"Engineering","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"National Research Council Canada; University of Waterloo","keywords":"Crystal (programming language); Perturbation (astronomy); Surface (topology); Distortion (music); Surface states; Condensed matter physics; Chemistry; Interface (matter); Molecular physics; Physics; Materials science; Molecule; Quantum mechanics; Geometry; Mathematics; Optoelectronics","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":[0.00006976656,0.00007780629,0.0001505308,0.00001460533,0.000008773231,0.00002194517,0.0001899496,0.00003066039,0.00004714879],"category_scores_gemma":[0.000009376339,0.00006059237,0.00005424187,0.00001631979,0.00003333702,0.0001009505,0.00001486353,0.0001113206,3.916909e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001988593,"about_ca_system_score_gemma":0.000007294627,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002118572,"about_ca_topic_score_gemma":4.723172e-8,"domain_scores_codex":[0.9994313,0.0000047884,0.0002874588,0.00004293851,0.0001666786,0.00006689909],"domain_scores_gemma":[0.9996682,0.00002021825,0.0001056471,0.00004174323,0.0001221981,0.00004196464],"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":[0.00005299425,0.00001123561,0.00007001389,0.00002340506,0.00009440922,0.000009149973,0.0001051933,0.02144529,0.9750183,0.00004376476,0.0001292781,0.002996986],"study_design_scores_gemma":[0.0007184169,0.00008600801,0.002126375,0.0002594499,0.00002287366,0.0003660495,0.0002631297,0.07467753,0.9164581,0.003868335,0.0009702979,0.0001834561],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951987,0.00199889,0.001898768,0.0002390419,0.0001697768,0.00001131178,0.00001256039,0.00001046467,0.0004604813],"genre_scores_gemma":[0.9991227,0.0004284343,0.0003144594,0.00001704976,0.00005992378,3.515884e-8,0.000001945405,0.000005393362,0.00005007509],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0585602,"threshold_uncertainty_score":0.2470885,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007735534336390026,"score_gpt":0.2322515121600185,"score_spread":0.2245159778236285,"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."}}