{"id":"W4417241221","doi":"10.1021/acs.jctc.5c01457","title":"Molecular Models of Symmetry-Protected Quantum Batteries: Electronic Structure and Exciton Dynamics","year":2025,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"Advanced battery technologies research","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University; University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Exciton; Excited state; Quantum; Work (physics); Electronic structure; Excitation; Biexciton; Molecular dynamics","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":[0.0002294949,0.0003151949,0.0005248979,0.0003685838,0.0005721516,0.001064337,0.001124654,0.001209692,0.003577108],"category_scores_gemma":[0.0004797139,0.0002872397,0.0004903892,0.0004485793,0.0007896966,0.00143061,0.0004775893,0.0007652299,0.0003551366],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001074552,"about_ca_system_score_gemma":0.0006850388,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004589899,"about_ca_topic_score_gemma":0.003283659,"domain_scores_codex":[0.9999324,0.00001941717,0.000003875979,0.00001109004,0.00001720118,0.00001602975],"domain_scores_gemma":[0.9998102,0.00007361851,0.00003473279,0.00003299854,0.00002163627,0.00002689249],"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":[0.00005409559,0.0001023486,0.000561107,0.00005082498,0.00001470927,0.00009959128,0.0000743876,0.9175034,0.005697853,0.07389144,0.0002895289,0.001660656],"study_design_scores_gemma":[0.00001907303,0.00002752516,0.0001284939,0.00000398426,0.000003138336,0.000007634397,0.00002418717,0.9934015,0.0004936936,0.005487224,0.0003959587,0.000007604764],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9293152,0.0004976844,0.05309942,0.0008223866,0.00007159281,0.00007833801,0.0004194709,0.00008833688,0.01560758],"genre_scores_gemma":[0.9844878,0.0005227266,0.009271822,0.00009623077,0.00001955673,0.000121035,0.0002839195,0.00003274712,0.005164192],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004589899,"threshold_uncertainty_score":0.01196665,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004704409798084948,"score_gpt":0.2458442122509705,"score_spread":0.2411398024528855,"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."}}