{"id":"W2062080953","doi":"10.1063/1.2102827","title":"Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent","year":2005,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Electrostatics and Colloid Interactions","field":"Chemistry","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Office of Science; U.S. Department of Energy","keywords":"Counterion; Polyelectrolyte; Solvent; Molecular dynamics; Chemical physics; Volume (thermodynamics); Phase (matter); Dynamics (music); Excluded volume; Statistical physics; Materials science; Chemistry; Thermodynamics; Polymer chemistry; Computational chemistry; Ion; Physics; Polymer; Organic chemistry","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":[0.0003215104,0.0004223229,0.0005479886,0.0004109947,0.0005819269,0.0005947353,0.0007304689,0.0007574351,0.0009967558],"category_scores_gemma":[0.001136776,0.0003147085,0.0004424917,0.0004963221,0.0008383731,0.0005670489,0.0004108004,0.0006971678,0.00008396849],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001121447,"about_ca_system_score_gemma":0.001060498,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01284634,"about_ca_topic_score_gemma":0.008381832,"domain_scores_codex":[0.9998883,0.00002832143,0.000004560424,0.00001407473,0.0000253122,0.00003944658],"domain_scores_gemma":[0.9995415,0.0002248359,0.00004944456,0.00002366487,0.00007632546,0.00008422296],"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":[0.0001379555,0.0001075291,0.002338359,0.00002774205,0.00003861304,0.0001230447,0.00008074017,0.9871196,0.006063083,0.00227049,0.00011519,0.001577663],"study_design_scores_gemma":[0.00002511263,0.0000493497,0.0005404574,0.000003658431,0.000006244949,0.000006425518,0.00002034212,0.9977761,0.001206,0.0002504445,0.0001110104,0.000004963504],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939572,0.00007260379,0.004131158,0.00008989652,0.00001260252,0.00001862483,0.0000862749,0.00005361903,0.001578179],"genre_scores_gemma":[0.9957561,0.00007594596,0.003361375,0.00003067315,0.000004391261,0.00005124446,0.0001759466,0.00002105567,0.0005232943],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01284634,"threshold_uncertainty_score":0.02554315,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004874305057990292,"score_gpt":0.2488801339361526,"score_spread":0.2440058288781623,"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."}}