{"id":"W2130990953","doi":"10.1016/j.cpc.2011.07.016","title":"A Fortran program for calculating electron or hole mobility in disordered semiconductors from first-principles","year":2011,"lang":"en","type":"article","venue":"Computer Physics Communications","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":6,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Division of Materials Research; Queen's University; National Science Foundation","keywords":"Fortran; Semiconductor; Adiabatic process; Electron mobility; Ab initio; Materials science; Condensed matter physics; Electron; Organic semiconductor; Physics; Statistical physics; Computer science; Quantum mechanics; Optoelectronics","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":[0.0005363653,0.0009898164,0.0009207079,0.0005979508,0.001168041,0.0008564954,0.002266307,0.000722195,0.02012034],"category_scores_gemma":[0.001257869,0.0005275304,0.0005980697,0.0009090608,0.0002639224,0.0007895187,0.00045484,0.001360481,0.003694504],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005924222,"about_ca_system_score_gemma":0.001146932,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003146295,"about_ca_topic_score_gemma":0.004069974,"domain_scores_codex":[0.999833,0.00003999775,0.000008724727,0.00001920783,0.00006373454,0.00003528396],"domain_scores_gemma":[0.9993525,0.0003154196,0.00002604511,0.0000846356,0.0001848539,0.00003644001],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007527572,0.0006873885,0.00347167,0.002530694,0.0003612103,0.001319423,0.0008548163,0.2999758,0.02669184,0.09006692,0.1569928,0.4162947],"study_design_scores_gemma":[0.0003729303,0.0001970604,0.001507632,0.0001237,0.00008653816,0.0004795479,0.0001022206,0.8815525,0.02202111,0.02064808,0.07283581,0.00007294163],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.07881681,0.0005832023,0.8207087,0.0002599584,0.000257023,0.0004788619,0.007066447,0.05891602,0.03291302],"genre_scores_gemma":[0.1805679,0.0004454842,0.7815015,0.0002923773,0.00007218345,0.001421478,0.006089698,0.009627397,0.01998193],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.02012034,"threshold_uncertainty_score":0.0673092,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06427915343798223,"score_gpt":0.27133817553294,"score_spread":0.2070590220949577,"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."}}