{"id":"W2322413905","doi":"10.1021/jp512358s","title":"Molecular Dynamics Simulation of NaCl Dissolution","year":2015,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":54,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid; Compute Canada","keywords":"Dissolution; Crystal (programming language); Ion; Molecular dynamics; Chemical physics; Sink (geography); Materials science; Rate equation; Crystallography; Chemistry; Kinetics; Physical chemistry; Computational chemistry; Physics; Organic chemistry; Classical mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001114268,0.00007429478,0.0001643431,0.000004406773,0.00002658508,0.000004725719,0.0001342976,0.0000152295,0.00001307468],"category_scores_gemma":[0.00002665787,0.00004731864,0.0001111312,0.00007353107,0.00007568931,0.00004936619,0.00003451427,0.0001532362,0.000001307615],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004993261,"about_ca_system_score_gemma":0.00003622767,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009487103,"about_ca_topic_score_gemma":5.265773e-8,"domain_scores_codex":[0.9994675,0.00001759388,0.0001787021,0.00004132057,0.0002027332,0.00009215922],"domain_scores_gemma":[0.9993767,0.00009339389,0.0002372438,0.00009061188,0.0001460838,0.000056022],"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":[0.0001582337,0.0003126418,0.0005969371,0.00002176461,0.0001466484,8.678857e-7,0.0006085223,0.07012495,0.9248103,0.002466248,0.0001011293,0.0006517805],"study_design_scores_gemma":[0.0003647211,0.00006613087,0.00007671531,0.00002497187,0.0000954635,0.000001167926,0.0004996734,0.08355987,0.8966763,0.01849868,0.0000649459,0.00007137451],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9862675,0.00005075273,0.0104772,0.0001205216,0.00001889921,0.00002106134,0.000007189753,0.000002772292,0.003034072],"genre_scores_gemma":[0.9996117,5.043921e-7,0.00002267888,0.000004187282,0.0003278588,3.650325e-7,0.000003808854,0.000005169595,0.00002370046],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02813399,"threshold_uncertainty_score":0.1929598,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01126834546794418,"score_gpt":0.2793162841639013,"score_spread":0.2680479386959571,"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."}}