{"id":"W4396499005","doi":"10.1088/1361-648x/ad459b","title":"Thermal transport in fullerene-based molecular junctions: molecular dynamics simulations","year":2024,"lang":"en","type":"article","venue":"Journal of Physics Condensed Matter","topic":"Thermal properties of materials","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Fullerene; Molecular dynamics; Chemical physics; Thermal; Dynamics (music); Chemistry; Nanotechnology; Materials science; Physics; Computational chemistry; Thermodynamics; Quantum mechanics","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003591306,0.000206266,0.0003347719,0.00014156,0.00004102071,0.0001488254,0.0002862418,0.00008605568,0.002863867],"category_scores_gemma":[0.00001756309,0.0001731265,0.0001956328,0.0001438254,0.00008945313,0.0004034832,0.00002508391,0.0002367234,0.0004177619],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001736284,"about_ca_system_score_gemma":0.0002609594,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001947261,"about_ca_topic_score_gemma":0.000004124635,"domain_scores_codex":[0.9983446,0.0001394678,0.0006472307,0.0002070254,0.0003939118,0.0002677871],"domain_scores_gemma":[0.9992542,0.0000810405,0.0001862727,0.0002507407,0.0001533081,0.00007441723],"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":[0.00009583302,0.00007870129,0.000228809,0.00008720579,0.00003136031,0.0002340707,0.0001448363,0.09546472,0.9027749,0.0005523799,0.0001048744,0.0002022746],"study_design_scores_gemma":[0.001020351,0.0001139324,0.00115944,0.0003667725,0.000123647,0.000030277,0.00005094753,0.006310326,0.9876975,0.002435951,0.0003362959,0.0003545125],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9820098,0.0002169545,0.01498548,0.001247515,0.00098825,0.0001485253,0.00005198732,0.00003735227,0.0003141207],"genre_scores_gemma":[0.997842,9.809044e-7,0.0009107959,0.0009106063,0.0001436146,0.000005573767,0.00000984065,0.00005560336,0.000120989],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08915439,"threshold_uncertainty_score":0.9980476,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01076277636077403,"score_gpt":0.236827418651983,"score_spread":0.2260646422912089,"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."}}