{"id":"W2327679155","doi":"10.1002/fuce.201600002","title":"Is Fine‐Grained Simulation Able to Propose New Polyelectrolyte Membranes?","year":2016,"lang":"en","type":"article","venue":"Fuel Cells","topic":"Fuel Cells and Related Materials","field":"Engineering","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies; Université de Sherbrooke","keywords":"Nafion; Membrane; Proton exchange membrane fuel cell; Polyelectrolyte; Molecular dynamics; Molecule; Monomer; Ionomer; Polymer; Chemical engineering; Conductivity; Materials science; Proton transport; Glass transition; Plasticizer; Chemical physics; Proton; Sulfur; Nanotechnology; Chemistry; Computational chemistry; Organic chemistry; Physical chemistry; Composite material; Physics; Copolymer","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002878477,0.000317323,0.0004783629,0.0003049591,0.0004390897,0.0007479606,0.0006148258,0.0009687468,0.003060095],"category_scores_gemma":[0.0007277105,0.0002567079,0.0004721952,0.0001910294,0.0005142939,0.0009344091,0.0002583562,0.0006093067,0.0002543598],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006580734,"about_ca_system_score_gemma":0.0007162371,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005342268,"about_ca_topic_score_gemma":0.003916938,"domain_scores_codex":[0.9999411,0.00001187626,0.000004187417,0.000008503754,0.00001358709,0.00002077581],"domain_scores_gemma":[0.9998035,0.00007695188,0.00002394401,0.00003967245,0.00003238941,0.00002358851],"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":[0.00007047652,0.00009859623,0.00139586,0.0000909333,0.0000414582,0.00007373799,0.00005863686,0.9672806,0.01441433,0.01197175,0.0004056413,0.004097975],"study_design_scores_gemma":[0.00001096056,0.00001276494,0.000182078,0.00000561037,0.000003459311,0.000003186423,0.0000130714,0.9965355,0.0008840433,0.001998526,0.0003463226,0.000004441378],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9082552,0.000455761,0.07413504,0.001081858,0.0002044129,0.0001508033,0.0003767015,0.0006294551,0.01471079],"genre_scores_gemma":[0.9780517,0.0002005092,0.02042869,0.00008964105,0.00001586034,0.00009123435,0.0001815866,0.00009564352,0.0008451808],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005342268,"threshold_uncertainty_score":0.01062238,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008862637206955041,"score_gpt":0.2107854997624362,"score_spread":0.2019228625554811,"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."}}