{"id":"W2566939755","doi":"","title":"First principles investigation of heterogeneous catalysis on metal oxide surfaces","year":2016,"lang":"en","type":"dissertation","venue":"TSpace (University of Toronto)","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; University of Toronto; Compute Canada","keywords":"Oxide; Catalysis; Metal; Materials science; Nanotechnology; Chemistry; Metallurgy; Organic chemistry","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":[0.0004872748,0.0005912627,0.0009993269,0.0004669749,0.000565405,0.0007390086,0.001275005,0.001015033,0.001712836],"category_scores_gemma":[0.0006046364,0.0003619517,0.0007768499,0.000308113,0.0008036834,0.0004868945,0.000535716,0.0006725339,0.0001791989],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001109786,"about_ca_system_score_gemma":0.001105528,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005853989,"about_ca_topic_score_gemma":0.003974538,"domain_scores_codex":[0.9998141,0.00004166155,0.000003740411,0.00001520143,0.00009060364,0.00003475811],"domain_scores_gemma":[0.9998224,0.00009454046,0.00001176627,0.0000197148,0.00003772187,0.000013868],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006279859,0.0001423888,0.0007190209,0.0001676387,0.0000511097,0.0002451119,0.0001030033,0.9362606,0.01381599,0.04347906,0.0004353598,0.004517949],"study_design_scores_gemma":[0.00001556783,0.00001806126,0.0001588917,0.000003002921,0.000003158086,0.00001121853,0.000009351596,0.9967288,0.0006110024,0.00225281,0.0001846517,0.000003555672],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8025973,0.001072699,0.1421315,0.001231563,0.0001363339,0.0002907154,0.0005320308,0.0002728267,0.05173511],"genre_scores_gemma":[0.9628053,0.0006288621,0.0292607,0.0001913398,0.00003877421,0.0002372062,0.0002046894,0.00005703714,0.00657611],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005853989,"threshold_uncertainty_score":0.01163983,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01839287903267724,"score_gpt":0.2403607175492391,"score_spread":0.2219678385165619,"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."}}