{"id":"W2052891002","doi":"10.1126/science.1113479","title":"Simulated Quantum Computation of Molecular Energies","year":2005,"lang":"en","type":"article","venue":"Science","topic":"Quantum Computing Algorithms and Architecture","field":"Computer Science","cited_by":1439,"is_retracted":false,"has_abstract":true,"ca_institutions":"D-Wave Systems (Canada)","funders":"","keywords":"Quantum computer; Quantum algorithm; Quantum phase estimation algorithm; Quantum; Adiabatic process; Wave function; Algorithm; Quantum error correction; Function (biology); Computer science; Statistical physics; Quantum mechanics; Physics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004847146,0.000253552,0.0006613476,0.0003087381,0.0005286822,0.0007954736,0.001192925,0.0008556418,0.003630613],"category_scores_gemma":[0.002901774,0.0003365141,0.0004193989,0.0004208187,0.001029585,0.001139036,0.0006839852,0.0007382411,0.0002426202],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001206809,"about_ca_system_score_gemma":0.001230928,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003729234,"about_ca_topic_score_gemma":0.003774298,"domain_scores_codex":[0.9996885,0.0001200289,0.00001100498,0.00003321058,0.0001025548,0.00004465079],"domain_scores_gemma":[0.9989424,0.0006323627,0.00004357817,0.0002043162,0.0001305974,0.00004667655],"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":[0.0001200663,0.00003757536,0.0003733171,0.00003573313,0.0000254907,0.00004439983,0.0000445793,0.9305067,0.002211388,0.05973562,0.0003655362,0.006499679],"study_design_scores_gemma":[0.00001778484,0.00001063766,0.00004091577,0.000001583706,0.000002546292,0.000003930288,0.000003855137,0.9921352,0.001071246,0.006346613,0.0003628892,0.000002858023],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5006825,0.0003148204,0.4774538,0.0006164918,0.000105657,0.0001332195,0.0002519004,0.00115585,0.01928587],"genre_scores_gemma":[0.9276841,0.00009485645,0.06966321,0.00004587317,0.00001076323,0.0001695105,0.0001237275,0.00004756137,0.002160439],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003729234,"threshold_uncertainty_score":0.01214558,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006795505306941121,"score_gpt":0.2514620021073077,"score_spread":0.2446664968003666,"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."}}