{"id":"W2091484291","doi":"10.1103/physrevlett.103.055503","title":"Structural Prediction and Phase Transformation Mechanisms in Calcium at High Pressure","year":2009,"lang":"en","type":"article","venue":"Physical Review Letters","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":76,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Metadynamics; Anharmonicity; Enthalpy; Thermodynamics; Materials science; Phase (matter); Transformation (genetics); Range (aeronautics); Superconductivity; Phase transition; Molecular dynamics; Condensed matter physics; Physics; Chemistry; Computational chemistry; Quantum mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001112286,0.0001213558,0.0002556723,0.00002151871,0.00006161454,0.00002732998,0.00007433859,0.0000124344,0.0001675622],"category_scores_gemma":[0.000005747591,0.00009095619,0.00004128942,0.00008807617,0.00002132582,0.0002884443,0.000004083014,0.00006982091,0.00003001689],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00000304836,"about_ca_system_score_gemma":0.000004143407,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001744851,"about_ca_topic_score_gemma":0.00001886215,"domain_scores_codex":[0.9992062,0.00007033163,0.0001856724,0.0001793343,0.0001763029,0.0001821392],"domain_scores_gemma":[0.999744,0.00002404045,0.0000549223,0.00009890136,0.000008920308,0.00006922703],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.0006159346,0.00033006,0.002241302,0.005476182,0.0001776096,0.00006625912,0.003133334,0.01888806,0.6789172,0.01374844,0.007696687,0.268709],"study_design_scores_gemma":[0.006914052,0.001930878,0.7494944,0.00264381,0.0009356955,0.00004900734,0.00002399487,0.1560125,0.01983092,0.02868588,0.03160742,0.001871342],"study_design_candidate":"observational","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9946995,0.001490585,0.0001471442,0.002872369,0.0001481375,0.0003649838,0.0001692275,0.00002605777,0.0000819679],"genre_scores_gemma":[0.996467,0.000578658,0.000061439,0.002556297,0.0001228969,0.000002639793,0.0002043132,0.0000019694,0.000004806458],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.7472531,"threshold_uncertainty_score":0.3709086,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01241577628475253,"score_gpt":0.2516268038170663,"score_spread":0.2392110275323138,"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."}}