{"id":"W2042333155","doi":"10.1103/physrevb.65.184201","title":"Dynamical properties of liquid Al near melting:  An orbital-free molecular dynamics study","year":2002,"lang":"en","type":"article","venue":"Physical review. B, Condensed matter","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":99,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Queen's University","keywords":"Pseudopotential; Molecular dynamics; Ab initio; Perturbation theory (quantum mechanics); Kinetic energy; Fragment molecular orbital; Molecular orbital; Neutron scattering; Scattering; Physics; Molecular physics; Materials science; Atomic physics; Classical mechanics; Molecule; Quantum mechanics","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":[0.00006794206,0.0002187249,0.0002799082,0.0004345253,0.0004119563,0.0004057579,0.0004193452,0.0002706427,0.000794797],"category_scores_gemma":[0.0002507291,0.0001381546,0.0002258718,0.0004022164,0.0005166368,0.000469712,0.0002172466,0.0003278858,0.00008631145],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000425936,"about_ca_system_score_gemma":0.0002496216,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00322663,"about_ca_topic_score_gemma":0.001875752,"domain_scores_codex":[0.999972,0.000004588014,0.000001245429,0.000004616526,0.00001040608,0.000007284047],"domain_scores_gemma":[0.9999242,0.00002845042,0.00001623138,0.000008089469,0.00001257065,0.00001053995],"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":[0.0005132996,0.0004179875,0.01219386,0.0003648865,0.0001439692,0.001290903,0.0006712461,0.5483217,0.3535381,0.05952448,0.001121425,0.02189812],"study_design_scores_gemma":[0.00002085925,0.00005613525,0.001982691,0.000005083151,0.00001059688,0.00004820483,0.00003546309,0.9865349,0.009276126,0.001436083,0.000583582,0.00001029994],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937231,0.0003561577,0.003411232,0.0001096915,0.000008961281,0.00001159816,0.00008365097,0.00005311604,0.002242523],"genre_scores_gemma":[0.9976224,0.0002127285,0.001661505,0.00001083627,0.000008084413,0.00001141832,0.00008390749,0.00001013477,0.0003790231],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00322663,"threshold_uncertainty_score":0.006415725,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.017896152714097,"score_gpt":0.2517692579740453,"score_spread":0.2338731052599483,"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."}}