{"id":"W2000136837","doi":"10.1063/1.2953308","title":"An efficient ring polymer contraction scheme for imaginary time path integral simulations","year":2008,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":236,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Office of Naval Research; Engineering and Physical Sciences Research Council; Research Nova Scotia","keywords":"Path integral formulation; Intramolecular force; Intermolecular force; Quantum; Range (aeronautics); Polymer; Ring (chemistry); Statistical physics; Aqueous solution; Imaginary time; Path (computing); Physics; Materials science; Computer science; Chemistry; Quantum mechanics; Molecule; Physical chemistry; Quantum dynamics; Nuclear magnetic resonance; Composite material","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001184343,0.0004687542,0.0008178576,0.0003809598,0.0007422511,0.0006474569,0.002472595,0.0009841134,0.004734508],"category_scores_gemma":[0.002839819,0.0003793896,0.000465014,0.0006291677,0.0006508283,0.001261431,0.001107513,0.001519348,0.000987069],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007513099,"about_ca_system_score_gemma":0.001412221,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002732172,"about_ca_topic_score_gemma":0.002875808,"domain_scores_codex":[0.9996508,0.0001063523,0.00001807531,0.00003249274,0.0001503005,0.00004189103],"domain_scores_gemma":[0.999086,0.0003735744,0.00004453571,0.000240604,0.0001710186,0.00008427408],"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":[0.00026854,0.0002209137,0.000936237,0.0001194175,0.00004758895,0.0002322878,0.0002116595,0.7961432,0.0295362,0.1150994,0.002428885,0.05475575],"study_design_scores_gemma":[0.00001976018,0.0000154891,0.00004289413,0.000002419007,0.000002452691,0.00000867707,0.00000406083,0.9956043,0.001302724,0.002306276,0.0006846183,0.000006535533],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.05928454,0.0001215617,0.9314386,0.0001751055,0.00007783632,0.0001612881,0.0001322193,0.001392626,0.007216259],"genre_scores_gemma":[0.3275453,0.0001702686,0.6672192,0.00008442599,0.00002737755,0.0006145543,0.0002030569,0.0005334978,0.003602433],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.004734508,"threshold_uncertainty_score":0.01583856,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0103328404374116,"score_gpt":0.2583620187196154,"score_spread":0.2480291782822038,"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."}}