{"paper":{"title":"Toward end-to-end quantum simulation for protein dynamics","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cs.NA","math.NA"],"primary_cat":"quant-ph","authors_text":"Chunhao Wang, Jin-Peng Liu, Xiantao Li, Zhenning Liu","submitted_at":"2024-11-06T15:10:15Z","abstract_excerpt":"Modeling and simulating the protein folding process overall remains a grand challenge in computational biology. We systematically investigate end-to-end quantum algorithms for simulating various protein dynamics with effects, such as mechanical forces or stochastic noises. A major focus is the read-in of system settings for simulation, for which we discuss (i) efficient quantum algorithms to prepare initial states--whether for ensemble or single-state simulations, in particular, the first efficient procedure for preparing Gaussian pseudo-random amplitude states, and (ii) the first efficient lo"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.03972","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2411.03972/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}