{"id":"W2521983190","doi":"10.1073/pnas.1601254113","title":"Crystal structures and dynamical properties of dense CO <sub>2</sub>","year":2016,"lang":"en","type":"article","venue":"Proceedings of the National Academy of Sciences","topic":"High-pressure geophysics and materials","field":"Earth and Planetary Sciences","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Defense Sciences Office, DARPA; National Science Foundation; Advanced Research Projects Agency; Division of Materials Research; China Scholarship Council; U.S. Department of Energy","keywords":"Metastability; Metadynamics; Molecular dynamics; Ambient pressure; Materials science; Thermodynamics; Crystal structure; Crystallography; Structural stability; Phase (matter); Chemical physics; Diffraction; Chemistry; Computational chemistry; Physics","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":[0.00004748906,0.000111242,0.0001154337,0.0002341032,0.0002766496,0.0003146089,0.000259571,0.0001669031,0.001075597],"category_scores_gemma":[0.0003252271,0.0001594474,0.00007633935,0.0002602834,0.0003685357,0.0002736043,0.0001628926,0.0002834074,0.00006314665],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004178142,"about_ca_system_score_gemma":0.0002067311,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003348631,"about_ca_topic_score_gemma":0.004529163,"domain_scores_codex":[0.999954,0.000002862838,0.000001739382,0.00001016241,0.00002114127,0.00001012136],"domain_scores_gemma":[0.9998758,0.00002847551,0.00003661006,0.000009680333,0.00003439099,0.00001495566],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003016763,0.0001111361,0.01533996,0.0002326864,0.00003422255,0.0003512092,0.0002675491,0.01568891,0.9520728,0.004897844,0.0008462714,0.009855701],"study_design_scores_gemma":[0.0001105156,0.0003304907,0.1199494,0.00002096433,0.00003741547,0.0005811179,0.0006454336,0.4223198,0.4488873,0.003749009,0.003309824,0.00005868892],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985052,0.00007388843,0.0004927842,0.0000290443,0.000003017974,0.00000312172,0.00009252539,0.00001767298,0.0007828552],"genre_scores_gemma":[0.9989796,0.00003677242,0.0005202648,0.000006119543,0.000002320421,0.000005431509,0.0002038112,0.000006940987,0.0002387854],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003348631,"threshold_uncertainty_score":0.006658256,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0209901710281774,"score_gpt":0.2299976178286904,"score_spread":0.209007446800513,"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."}}