{"id":"W3007436597","doi":"10.1088/1361-648x/ab7c13","title":"Systematic study of low energy geometries of copper nano-junctions exposed to water and to species that can result from dissociation of water","year":2020,"lang":"en","type":"preprint","venue":"Journal of Physics Condensed Matter","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada","keywords":"Conductance; Monatomic ion; Molecule; Chemical physics; Ab initio; Copper; Dissociation (chemistry); Quantum tunnelling; Molecular wire; Chemistry; Electrode; Molecular electronics; Electrical resistance and conductance; Materials science; Molecular physics; Condensed matter physics; Optoelectronics; Physics; Physical chemistry","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":[0.0003194237,0.0003595606,0.0008359354,0.0006460937,0.0007164416,0.0007608685,0.001068878,0.0007583401,0.003077167],"category_scores_gemma":[0.0009557292,0.000383434,0.0005751915,0.0005756099,0.0005594608,0.00050333,0.0004466175,0.0004396277,0.000187512],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009661783,"about_ca_system_score_gemma":0.0005908512,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002544351,"about_ca_topic_score_gemma":0.003877072,"domain_scores_codex":[0.9998562,0.00002357724,0.000006364239,0.00002271284,0.00004474691,0.00004638424],"domain_scores_gemma":[0.9995685,0.0002309774,0.00005717103,0.000045419,0.00006928695,0.00002862298],"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":[0.0004246061,0.0002769879,0.01282998,0.0009327622,0.0002315983,0.001230206,0.0002822682,0.8949382,0.05914513,0.01892449,0.001861587,0.008922166],"study_design_scores_gemma":[0.00008405781,0.0004918924,0.005777815,0.00005629742,0.000113928,0.0001762056,0.0004095334,0.9584081,0.02959611,0.003362407,0.001474553,0.00004900809],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949366,0.0001651831,0.001287722,0.00006621829,0.00001093201,0.00001348271,0.0003027244,0.000071625,0.003145369],"genre_scores_gemma":[0.9973491,0.0001073807,0.001824724,0.00001265892,0.000003554548,0.00002568743,0.0003051608,0.00003347947,0.0003382687],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003077167,"threshold_uncertainty_score":0.0102942,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01343332031141827,"score_gpt":0.2012914217750158,"score_spread":0.1878581014635975,"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."}}