{"id":"W2080140468","doi":"10.1021/la050977n","title":"Pore Size Distribution Analysis of Selected Hexagonal Mesoporous Silicas by Grand Canonical Monte Carlo Simulations","year":2005,"lang":"en","type":"article","venue":"Langmuir","topic":"Mesoporous Materials and Catalysis","field":"Materials Science","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"Hospital for Sick Children","funders":"","keywords":"Adsorption; Monte Carlo method; Deconvolution; Materials science; Statistical physics; Thermodynamics; Grand canonical ensemble; Porosity; Mesoporous material; Regularization (linguistics); Kernel (algebra); Mathematics; Chemistry; Physics; Algorithm; Physical chemistry; Computer science; Statistics; Composite material; Organic chemistry; Combinatorics","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0006852163,0.0002812071,0.0004129981,0.0004712469,0.0003065285,0.0003263415,0.0006254567,0.0005138142,0.0005830506],"category_scores_gemma":[0.001168055,0.0002412484,0.0004719412,0.0002710076,0.0003836837,0.0003936274,0.0002272385,0.0003105782,0.00009745224],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006464823,"about_ca_system_score_gemma":0.0008604418,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005485368,"about_ca_topic_score_gemma":0.00419425,"domain_scores_codex":[0.9998484,0.00004506926,0.000006097019,0.00001988783,0.0000528872,0.00002762517],"domain_scores_gemma":[0.9995121,0.0002447131,0.00005003809,0.00006295137,0.0000968313,0.00003337658],"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":[0.00005107962,0.00003840426,0.00111969,0.00004734652,0.00003094955,0.0000556032,0.00003800671,0.9683833,0.01547413,0.0117014,0.0001583722,0.002901746],"study_design_scores_gemma":[0.000002841008,0.000004337464,0.0001323372,7.765239e-7,0.000001404337,0.000003201478,0.000001472627,0.9977702,0.001461221,0.0005641786,0.0000552558,0.00000278635],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7072392,0.000140034,0.2888118,0.000142503,0.0000142574,0.0000755769,0.0002560633,0.0004523156,0.002868261],"genre_scores_gemma":[0.9396989,0.00009465108,0.05925066,0.00002272168,0.000009434129,0.0001096751,0.0002050566,0.0001117988,0.0004971537],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005485368,"threshold_uncertainty_score":0.01090688,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006018665776003502,"score_gpt":0.239444879280784,"score_spread":0.2334262135047805,"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."}}