{"id":"W4254637951","doi":"10.1007/978-1-4615-0377-4_8","title":"Molecular Dynamics","year":2003,"lang":"en","type":"book-chapter","venue":"","topic":"thermodynamics and calorimetric analyses","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"TRIUMF","funders":"","keywords":"Molecular dynamics; Vaporization; Folding (DSP implementation); Dynamics (music); Nanotechnology; Protein folding; Computer science; Biological system; Chemical physics; Materials science; Physics; Chemistry; Engineering; Mechanical engineering; Biology; Computational 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":[0.0002102314,0.0009278945,0.0008373249,0.0006875455,0.0007883046,0.001061338,0.00123535,0.0007363429,0.09283023],"category_scores_gemma":[0.0004355899,0.000496754,0.0003802711,0.000818288,0.0005043732,0.001428862,0.001011712,0.001692027,0.0549772],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007224586,"about_ca_system_score_gemma":0.0005633982,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001024041,"about_ca_topic_score_gemma":0.0017632,"domain_scores_codex":[0.9998298,0.0000107369,0.000004280195,0.0000480731,0.00009433267,0.00001280678],"domain_scores_gemma":[0.9998993,0.00001643051,0.000003910349,0.00003376309,0.00003514458,0.00001140386],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00005115357,0.00006706974,0.0001413491,0.0003104524,0.00002308028,0.00006389143,0.0001163529,0.006703106,0.01388444,0.2556295,0.309655,0.4133545],"study_design_scores_gemma":[0.00001227921,0.00001554274,0.000162884,0.0000559964,0.000009947792,0.0001316172,0.0000169407,0.01122452,0.01047739,0.0494081,0.9284642,0.00002060535],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.002562893,0.01050184,0.245471,0.00163342,0.002009667,0.0001195641,0.002180117,0.005862167,0.7296594],"genre_scores_gemma":[0.02335917,0.007447297,0.06170653,0.0006163777,0.0002734586,0.000281225,0.002736642,0.001560658,0.9020186],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.09283023,"threshold_uncertainty_score":0.3105481,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008828046190985678,"score_gpt":0.2103940707357068,"score_spread":0.2015660245447212,"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."}}