{"id":"W2032787141","doi":"10.1063/1.4775738","title":"Free energy surface of ST2 water near the liquid-liquid phase transition","year":2013,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":127,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland; University of Saskatchewan; St. Francis Xavier University","funders":"","keywords":"Monte Carlo method; Critical point (mathematics); Surface (topology); Phase transition; Energy (signal processing); Work (physics); Phase (matter)","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":[0.0004169848,0.000102941,0.0002090952,0.000005140063,0.00008115682,0.00007136616,0.0005488042,0.00004176696,0.0003820156],"category_scores_gemma":[0.00001368285,0.00004285297,0.00009029159,0.00004030178,0.0002991761,0.0002087584,0.00007814862,0.0001099203,0.00001481924],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001434627,"about_ca_system_score_gemma":0.000032795,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001738387,"about_ca_topic_score_gemma":5.601827e-7,"domain_scores_codex":[0.9990074,0.0001180444,0.0003604463,0.00005974067,0.0002817071,0.0001726721],"domain_scores_gemma":[0.9992399,0.00006598252,0.0001853651,0.0002599105,0.0002014177,0.00004745087],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007388531,0.00007960277,4.222799e-8,0.00001697919,0.00001351486,4.31077e-7,0.001367089,0.0008373513,0.9960756,0.0002664512,0.0005088318,0.00009525556],"study_design_scores_gemma":[0.0004159953,0.0003758036,2.643505e-7,0.00002646094,0.00003798043,0.00001053479,0.00005093036,0.001028711,0.9921255,0.005452863,0.0004068938,0.00006808347],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965416,0.00007168559,0.001200247,0.001802515,0.0001890803,0.00005633461,0.00001972281,0.000006119753,0.0001127087],"genre_scores_gemma":[0.9992874,0.00002874196,0.0001305502,0.0002400385,0.0002730676,0.000001086039,0.000002463939,0.00001240043,0.00002429562],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005186412,"threshold_uncertainty_score":0.4182803,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01125325037350196,"score_gpt":0.2182095049302999,"score_spread":0.2069562545567979,"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."}}