{"id":"W4391823961","doi":"10.1021/acs.jctc.3c01230","title":"Low-Scaling <i>GW</i> Algorithm Applied to Twisted Transition-Metal Dichalcogenide Heterobilayers","year":2024,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"2D Materials and Applications","field":"Materials Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Research Council; Gauss Centre for Supercomputing; Azrieli Foundation; Deutsche Forschungsgemeinschaft; Leibniz-Gemeinschaft; Universität Regensburg; Minerva Foundation; Leibniz-Rechenzentrum; European Commission; Graphene Flagship","keywords":"Scaling; Transition metal; Algorithm; Computer science; Physics; Computational science; Materials science; Nanotechnology; Chemistry; Mathematics; Geometry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002046723,0.0002802559,0.0002455759,0.0002790454,0.0003003161,0.0004427668,0.0005931123,0.0004193997,0.00384876],"category_scores_gemma":[0.0005274369,0.0001189233,0.0001317384,0.0003031557,0.00033924,0.0003304245,0.0004407321,0.0003172964,0.0004925358],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003774813,"about_ca_system_score_gemma":0.0005422005,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003043965,"about_ca_topic_score_gemma":0.003432537,"domain_scores_codex":[0.9999603,0.000008659419,0.000002473799,0.00000546547,0.00001356478,0.000009444828],"domain_scores_gemma":[0.9998951,0.00003799047,0.000008019977,0.00001751879,0.00002888242,0.00001251074],"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":[0.0004426527,0.0001261472,0.001960369,0.000151501,0.00003841744,0.0007941765,0.0002231396,0.6213157,0.1123527,0.05492375,0.006267224,0.2014043],"study_design_scores_gemma":[0.00001184438,0.00001299492,0.0001146583,0.000002287213,0.000001363631,0.00001530764,0.00001354139,0.9889426,0.007800992,0.00254628,0.0005349046,0.000003162066],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.3212351,0.00007626262,0.6608906,0.0003612865,0.00006086167,0.00007939312,0.0002104367,0.00351424,0.01357198],"genre_scores_gemma":[0.5948697,0.00005415559,0.3992875,0.00005865519,0.000007714363,0.0001070482,0.0001951732,0.0004525203,0.004967554],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.00384876,"threshold_uncertainty_score":0.01287538,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007796613756431965,"score_gpt":0.2560492587901284,"score_spread":0.2482526450336965,"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."}}