{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":3,"total_is_capped":false,"direct_labels_cover":0,"predictions_cover":3,"direct_label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline (scores rank; they never assert a category)","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12","author_layer_release":"2026-06-26"},"query_hash":"e58d1e839282","filters":{"venue":"Computational Condensed Matter"}},"results":[{"id":"W4310070228","doi":"10.1016/j.cocom.2022.e00772","title":"DFT study of cubic, tetragonal and trigonal structures of KGeCl3 perovskites for photovoltaic applications","year":2022,"lang":"en","type":"article","venue":"Computational Condensed Matter","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":65,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false},"ca_institutions":"","funders":"International Development Research Centre; United Nations Educational, Scientific and Cultural Organization","keywords":"Tetragonal crystal system; Density functional theory; Band gap; Perovskite (structure); Materials science; Direct and indirect band gaps; Condensed matter physics; Valence (chemistry); Electronic band structure; Atomic orbital; Ground state; Chemistry; Computational chemistry; Crystallography; Crystal structure; Atomic physics; Physics; Optoelectronics; Quantum mechanics","authors":[{"name":"Mauwa .M Namisi","is_ca":false},{"name":"Robinson Musembi","is_ca":false},{"name":"Winfred M. Mulwa","is_ca":false},{"name":"Bernard O. Aduda","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01028796981935132,"gpt":0.2309249674629841,"spread":0.2206369976436328,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001953084,0.0004605866,0.0007429668,0.0004491564,0.0009136199,0.0006653557,0.001344801,0.0008988698,0.007402436],"category_scores_gemma":[0.0005475578,0.000245431,0.000517846,0.0006475729,0.0003145609,0.0004242636,0.0004073607,0.0008672171,0.0004667126],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008797328,"about_ca_system_score_gemma":0.00109045,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01769646,"about_ca_topic_score_gemma":0.03039078,"domain_scores_codex":[0.9998978,0.00002375563,0.000003627,0.00000803564,0.00003274967,0.00003397623],"domain_scores_gemma":[0.999751,0.0001321002,0.00001534581,0.00002128207,0.00005511248,0.00002509061],"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":[0.001151816,0.0006586499,0.007828328,0.001659527,0.000286374,0.001462454,0.000362717,0.8471202,0.01500465,0.07591897,0.02120199,0.02734438],"study_design_scores_gemma":[0.0002461714,0.0001607441,0.002559853,0.0000488345,0.00004711895,0.00006744426,0.0002462935,0.9889154,0.002079485,0.003931595,0.00168131,0.00001576754],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9503617,0.001138483,0.003837169,0.0009533544,0.00007868771,0.00004211898,0.00173308,0.000223419,0.041632],"genre_scores_gemma":[0.9937867,0.0003397876,0.002531057,0.0001670213,0.00002905483,0.00006875634,0.001028052,0.00004773181,0.002001938],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01769646,"threshold_uncertainty_score":0.03518695,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4406142453","doi":"10.1016/j.cocom.2025.e01002","title":"Exploring RbSnCl3 and RbPbCl3 perovskites for solar cell applications using a first-principles approach: Multiobjective optimization beyond conventional methods","year":2025,"lang":"en","type":"article","venue":"Computational Condensed Matter","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":4,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"","keywords":"Solar cell; Materials science; Multi-objective optimization; Photovoltaics; Computer science; Engineering physics; Nanotechnology; Physics; Photovoltaic system; Optoelectronics; Engineering; Electrical engineering","authors":[{"name":"Ibtihal M. Alsalamah","is_ca":false},{"name":"Faizani Mohd-Noor","is_ca":false},{"name":"A. Shaari","is_ca":false},{"name":"Shehu Aminu Yamusa","is_ca":false},{"name":"Najeh Rekik","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.07653788102154359,"gpt":0.2991211844896159,"spread":0.2225833034680723,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004292387,0.0004604942,0.0005824849,0.000310601,0.0003963403,0.001087102,0.0007245333,0.0009209443,0.002193257],"category_scores_gemma":[0.0007771464,0.0003476201,0.0006147704,0.0003755265,0.0003207933,0.0006276637,0.0005758964,0.0008102676,0.0001805501],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006572962,"about_ca_system_score_gemma":0.001183018,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004133414,"about_ca_topic_score_gemma":0.009027294,"domain_scores_codex":[0.9998909,0.00003688214,0.00000269519,0.00001072267,0.00003890674,0.00001983262],"domain_scores_gemma":[0.999816,0.0001303854,0.00001219024,0.000009215403,0.00002172039,0.00001057396],"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":[0.00005426135,0.00007692928,0.0003263814,0.0001688471,0.00003132721,0.00006828992,0.00002514451,0.9818035,0.003764766,0.007164165,0.0003841277,0.006132235],"study_design_scores_gemma":[0.00001819973,0.00003385263,0.0001029244,0.000007293695,0.000008874719,0.000008228723,0.00002946628,0.9964211,0.0009927184,0.00192817,0.0004459752,0.000003301003],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7730895,0.002260514,0.1530239,0.001598571,0.0001083206,0.000175886,0.0004704192,0.0002633581,0.06900955],"genre_scores_gemma":[0.9303459,0.0007229688,0.06277379,0.0001925074,0.00002094469,0.0001704067,0.0002415412,0.00007490667,0.005457029],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004133414,"threshold_uncertainty_score":0.008218706,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4396216082","doi":"10.1016/j.cocom.2024.e00912","title":"Tailoring the optoelectronic properties of MoS2 for broadband photodetection: Showcasing an Ab-into study involving the quasi-particle correction within the Green’s function-based approximation","year":2024,"lang":"en","type":"article","venue":"Computational Condensed Matter","topic":"2D Materials and Applications","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Alberta","funders":"Princess Nourah Bint Abdulrahman University","keywords":"Quasiparticle; Density functional theory; Condensed matter physics; Band gap; Electronic band structure; GW approximation; Atomic orbital; Monolayer; Fermi level; Materials science; Direct and indirect band gaps; van der Waals force; Molecular physics; Electron; Physics; Chemistry; Computational chemistry; Nanotechnology; Quantum mechanics","authors":[{"name":"Shehu Aminu Yamusa","is_ca":false},{"name":"A. Shaari","is_ca":false},{"name":"Norah A. M. Alsaif","is_ca":false},{"name":"Najeh Rekik","is_ca":true},{"name":"Abdullah Alshehab","is_ca":false},{"name":"Razif Razali","is_ca":false},{"name":"Ibrahim Isah","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.03096025878082938,"gpt":0.2674593673418679,"spread":0.2364991085610385,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000451996,0.0005740353,0.0004837024,0.0002551108,0.0003413201,0.0006984636,0.0007257945,0.0006684981,0.001983054],"category_scores_gemma":[0.0005469064,0.0001778063,0.0003450635,0.000313435,0.0003381849,0.0006861868,0.0004677091,0.0005945507,0.0002100685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004286837,"about_ca_system_score_gemma":0.0004953796,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002961043,"about_ca_topic_score_gemma":0.005495447,"domain_scores_codex":[0.9999281,0.00002122045,0.000002155281,0.000007098829,0.00002038494,0.00002099039],"domain_scores_gemma":[0.999869,0.00007106181,0.000009292356,0.00002252065,0.00001875953,0.00000936145],"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":[0.0004036652,0.0003500404,0.001968991,0.0005764159,0.0001429669,0.0004287127,0.0001721584,0.7642901,0.04184183,0.1546776,0.004003121,0.03114438],"study_design_scores_gemma":[0.00002555877,0.00003454739,0.0002191284,0.000009580516,0.000009947085,0.00001269708,0.00002382003,0.9906479,0.003039731,0.005257814,0.0007128926,0.000006494159],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8942098,0.001258497,0.07021204,0.001282412,0.0001505837,0.00006926523,0.0003732599,0.0002937836,0.03215028],"genre_scores_gemma":[0.9785,0.0005666831,0.01783678,0.0001461998,0.00003549506,0.0000509225,0.0001131213,0.00006297356,0.002687888],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002961043,"threshold_uncertainty_score":0.006633937,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}