{"id":"W1978086138","doi":"10.1007/s10910-008-9395-2","title":"Computing the chemical reaction path with a ray-based fast marching technique for solving the Hamilton-Jacobi equation in a general coordinate system","year":2008,"lang":"en","type":"article","venue":"Journal of Mathematical Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Ontario Research Foundation; Ontario Innovation Trust","keywords":"Fast marching method; Hamilton–Jacobi equation; Action (physics); Coordinate system; Path (computing); Simple (philosophy); Mathematics; Tracing; Applied mathematics; Computer science; Algorithm; Geometry; Physics","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":[0.0007433015,0.000692977,0.0007672576,0.0004958776,0.0007220395,0.0008399411,0.001612234,0.001065794,0.004185765],"category_scores_gemma":[0.002016517,0.0005376191,0.0005935127,0.0007637576,0.0007731358,0.001117353,0.0009323343,0.00142348,0.0007236894],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008144819,"about_ca_system_score_gemma":0.002250561,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007589838,"about_ca_topic_score_gemma":0.008335337,"domain_scores_codex":[0.9998486,0.00003502261,0.000009085729,0.00002458009,0.00006733643,0.00001542516],"domain_scores_gemma":[0.9994892,0.0002575535,0.00004840515,0.00006277506,0.0001079153,0.00003416257],"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":[0.0001605621,0.00007582422,0.0008670831,0.0002516015,0.000075388,0.0002052006,0.0002005366,0.8153907,0.01484199,0.09086768,0.002451277,0.07461221],"study_design_scores_gemma":[0.00002130614,0.00001315241,0.00005551207,0.000003717155,0.000006361046,0.00001626294,0.000008010316,0.991869,0.001340015,0.005511654,0.001146366,0.000008696891],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.01432592,0.00009768146,0.9828194,0.0001466433,0.00005911495,0.00005189169,0.00007868906,0.0004669402,0.00195363],"genre_scores_gemma":[0.09611323,0.0001525603,0.900726,0.00004499574,0.00002119813,0.0001520592,0.0001136509,0.0002035066,0.002472938],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.007589838,"threshold_uncertainty_score":0.01509136,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01408431275249733,"score_gpt":0.2429422286068883,"score_spread":0.228857915854391,"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."}}