{"id":"W135661078","doi":"10.1016/b978-044451719-7/50059-7","title":"Molecular dynamics","year":2005,"lang":"en","type":"book-chapter","venue":"Elsevier eBooks","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Molecular dynamics; Computer science; Dynamics (music); Statistical mechanics; Statistical physics; Biomolecule; Biochemical engineering; Nanotechnology; Chemistry; Computational chemistry; Engineering; Physics; Materials science","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002252024,0.000926688,0.0009985456,0.000906067,0.0005986263,0.001468553,0.001159874,0.0009309257,0.1770591],"category_scores_gemma":[0.0004694882,0.0004886774,0.000336297,0.001301749,0.0005208513,0.001739708,0.001125388,0.00138447,0.1164358],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007229976,"about_ca_system_score_gemma":0.0005488,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001687641,"about_ca_topic_score_gemma":0.002283589,"domain_scores_codex":[0.9998272,0.00001057622,0.00000491117,0.00004900964,0.00009528905,0.00001308512],"domain_scores_gemma":[0.99986,0.00002248289,0.000006179265,0.00005464659,0.00003734657,0.00001931283],"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":[0.00003995531,0.00004768599,0.0001655123,0.0003072939,0.00002005238,0.00007367896,0.00009593688,0.004375959,0.00551523,0.1257559,0.3404476,0.5231552],"study_design_scores_gemma":[0.00001430684,0.00001386866,0.0003190004,0.00009716289,0.0000104318,0.0001494539,0.00002110725,0.005610948,0.002999591,0.03321128,0.9575384,0.00001436988],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"other","genre_gemma":"other","genre_scores_codex":[0.001988957,0.0134492,0.06958703,0.001304928,0.001374273,0.00006410727,0.002340866,0.005717544,0.9041731],"genre_scores_gemma":[0.01378475,0.007141394,0.01977486,0.0003450371,0.000213498,0.0001190512,0.002568691,0.0009113842,0.9551413],"genre_candidate":"other","genre_consensus":"other","teacher_disagreement_score":0.1770591,"threshold_uncertainty_score":0.5923215,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007043056271933064,"score_gpt":0.2324346535972773,"score_spread":0.2253915973253443,"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."}}