{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2026:4KI6WWJ5JPDDRYEJ3E6QTNBBMN","short_pith_number":"pith:4KI6WWJ5","schema_version":"1.0","canonical_sha256":"e291eb593d4bc638e089d93d09b4216370f4fcd71e801bdc2d38ed3668c18b42","source":{"kind":"arxiv","id":"2606.24922","version":1},"attestation_state":"computed","paper":{"title":"Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"quant-ph","authors_text":"Huajing Song","submitted_at":"2026-06-20T11:03:12Z","abstract_excerpt":"Quantum optimization offers a route to searching the large defect-configuration spaces that arise in materials design. We develop an end-to-end, constraint-aware quantum optimization workflow for composition-defect search in a doped ZrO2 thermal-barrier-coating (TBC) material system, using a MACE-MPA-0 energy dataset to fit a 24-variable QUBO over 8 cation-occupation and 16 oxygen-vacancy variables with exactly two rare-earth substitutions and one oxygen vacancy, yielding 448 feasible configurations. The QUBO surrogate reproduces the MACE energies with held-out R2 = 0.997 (full-data R2 = 0.999"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2606.24922","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2026-06-20T11:03:12Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"937e9e4188fe21efb77e1bc0f30ef9793c7ecc29838cc92e34fcb87ba788c430","abstract_canon_sha256":"9b93f1b8595502c08c2924d871af716f55db261c267bd8eea65cf0c4728632bc"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-06-25T00:17:46.089122Z","signature_b64":"1w51SV6wzs04aV5SuSflhfjUWE80RfbGmVaCpfLnMr2dlsBLuF3e4nj/r9zY6YCVrXxQ4lYJ3L9gvTulIkVQCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e291eb593d4bc638e089d93d09b4216370f4fcd71e801bdc2d38ed3668c18b42","last_reissued_at":"2026-06-25T00:17:46.088755Z","signature_status":"signed_v1","first_computed_at":"2026-06-25T00:17:46.088755Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"quant-ph","authors_text":"Huajing Song","submitted_at":"2026-06-20T11:03:12Z","abstract_excerpt":"Quantum optimization offers a route to searching the large defect-configuration spaces that arise in materials design. We develop an end-to-end, constraint-aware quantum optimization workflow for composition-defect search in a doped ZrO2 thermal-barrier-coating (TBC) material system, using a MACE-MPA-0 energy dataset to fit a 24-variable QUBO over 8 cation-occupation and 16 oxygen-vacancy variables with exactly two rare-earth substitutions and one oxygen vacancy, yielding 448 feasible configurations. The QUBO surrogate reproduces the MACE energies with held-out R2 = 0.997 (full-data R2 = 0.999"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.24922","kind":"arxiv","version":1},"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/2606.24922/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2606.24922","created_at":"2026-06-25T00:17:46.088804+00:00"},{"alias_kind":"arxiv_version","alias_value":"2606.24922v1","created_at":"2026-06-25T00:17:46.088804+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2606.24922","created_at":"2026-06-25T00:17:46.088804+00:00"},{"alias_kind":"pith_short_12","alias_value":"4KI6WWJ5JPDD","created_at":"2026-06-25T00:17:46.088804+00:00"},{"alias_kind":"pith_short_16","alias_value":"4KI6WWJ5JPDDRYEJ","created_at":"2026-06-25T00:17:46.088804+00:00"},{"alias_kind":"pith_short_8","alias_value":"4KI6WWJ5","created_at":"2026-06-25T00:17:46.088804+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN","json":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN.json","graph_json":"https://pith.science/api/pith-number/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/graph.json","events_json":"https://pith.science/api/pith-number/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/events.json","paper":"https://pith.science/paper/4KI6WWJ5"},"agent_actions":{"view_html":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN","download_json":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN.json","view_paper":"https://pith.science/paper/4KI6WWJ5","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2606.24922&json=true","fetch_graph":"https://pith.science/api/pith-number/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/graph.json","fetch_events":"https://pith.science/api/pith-number/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/action/timestamp_anchor","attest_storage":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/action/storage_attestation","attest_author":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/action/author_attestation","sign_citation":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/action/citation_signature","submit_replication":"https://pith.science/pith/4KI6WWJ5JPDDRYEJ3E6QTNBBMN/action/replication_record"}},"created_at":"2026-06-25T00:17:46.088804+00:00","updated_at":"2026-06-25T00:17:46.088804+00:00"}