{"id":"W2508051355","doi":"10.1103/physrevb.95.035118","title":"Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces","year":2017,"lang":"en","type":"article","venue":"Physical review. B./Physical review. B","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada; Welch Foundation; U.S. Department of Energy; National Science Foundation","keywords":"Jellium; Lattice constant; Density functional theory; Moduli; Local-density approximation; Lattice (music); Hybrid functional; Physics; Condensed matter physics; Molecular physics; Atomic physics; Chemistry; Quantum mechanics; Diffraction","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":[],"consensus_categories":[],"category_scores_codex":[0.0004574595,0.0002422714,0.0007464931,0.0000301726,0.0003536854,0.00006201437,0.0005351854,0.00002911818,0.0001254228],"category_scores_gemma":[0.0005341304,0.000163396,0.0002642568,0.0004062049,0.0003349573,0.0003241804,0.000150609,0.0003852684,0.0002834997],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002678613,"about_ca_system_score_gemma":0.00009095519,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002614157,"about_ca_topic_score_gemma":0.0003178677,"domain_scores_codex":[0.9978083,0.0002487512,0.0005158316,0.0004902075,0.0006215069,0.0003154538],"domain_scores_gemma":[0.9979401,0.0005459975,0.0003364374,0.0007626639,0.0001595994,0.0002552409],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.0000328649,0.00102131,0.8722843,0.002343503,0.00008592363,0.000003860443,0.00009793893,0.001121344,0.01311808,0.02398016,0.006480436,0.0794303],"study_design_scores_gemma":[0.0001366481,0.00007079547,0.9642876,0.001374098,0.0001110322,0.000004648808,0.000007754202,0.01673901,0.0006087108,0.005106183,0.01134971,0.0002038041],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9844396,0.00232586,0.001303511,0.008728427,0.0001057834,0.001339994,0.00006623376,0.00002295602,0.001667648],"genre_scores_gemma":[0.9920006,0.005179469,0.0002793013,0.002279975,0.000147871,0.00005359021,0.00001432918,0.00000819667,0.00003664154],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09200333,"threshold_uncertainty_score":0.6663095,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03657573583213049,"score_gpt":0.3935583923303597,"score_spread":0.3569826564982292,"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."}}