{"id":"W2325449357","doi":"10.1103/physrevlett.110.166102","title":"Sub-ångstrom Experimental Validation of Molecular Dynamics for Predictive Modeling of Extended Defect Structures in Si","year":2013,"lang":"en","type":"article","venue":"Physical Review Letters","topic":"Silicon and Solar Cell Technologies","field":"Engineering","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Engineering and Physical Sciences Research Council","keywords":"Molecular dynamics; Silicon; Position (finance); Materials science; Robustness (evolution); Physics; Molecular physics; Statistical physics; Quantum mechanics; Optoelectronics; Chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0006734479,0.0004817161,0.000376783,0.0002336325,0.0004621463,0.0004855069,0.0009573519,0.0005444324,0.001797904],"category_scores_gemma":[0.001682334,0.0002066387,0.0002444462,0.0002812473,0.0004631176,0.0006087669,0.0003777692,0.001011213,0.0002652399],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006795132,"about_ca_system_score_gemma":0.0006712797,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005083384,"about_ca_topic_score_gemma":0.004079475,"domain_scores_codex":[0.9998341,0.00003265783,0.000009766759,0.00002517141,0.00007593304,0.00002239357],"domain_scores_gemma":[0.9992629,0.0003882626,0.0000470676,0.0001248103,0.0001446773,0.00003228052],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001612534,0.0003424842,0.003157973,0.0001243077,0.0000296169,0.0001130115,0.0001006785,0.9315984,0.04858308,0.007278646,0.0005231239,0.007987449],"study_design_scores_gemma":[0.00001226068,0.00004842447,0.0002969755,0.000002876563,0.000001756375,0.000006271455,0.0000109015,0.9886982,0.01039931,0.0002950199,0.0002227944,0.000005285227],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9308964,0.0003402756,0.05975494,0.0003523006,0.00008557207,0.00008183157,0.0009356393,0.0007643929,0.006788736],"genre_scores_gemma":[0.9754768,0.0001876606,0.02344518,0.00002539233,0.00001023311,0.00008338618,0.000375262,0.00006273238,0.00033322],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005083384,"threshold_uncertainty_score":0.01010758,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01004787050248079,"score_gpt":0.2535014331965803,"score_spread":0.2434535626940995,"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."}}