{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2021:FQZ2WO4K5KZVDCGLPTG3AWXBRN","short_pith_number":"pith:FQZ2WO4K","schema_version":"1.0","canonical_sha256":"2c33ab3b8aeab35188cb7ccdb05ae18b5667b04c806bbfaea724370334419e71","source":{"kind":"arxiv","id":"2110.04470","version":2},"attestation_state":"computed","paper":{"title":"Structural and Dynamic Properties of Solvated Hydroxide and Hydronium Ions in Water from Ab Initio Modeling","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Chunyi Zhang, Jianchuan Liu, Mohan Chen, Renxi Liu, Xifan Wu, Xinyuan Liang","submitted_at":"2021-10-09T06:40:50Z","abstract_excerpt":"Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water has been a challenging task from ab initio molecular dynamics (AIMD). The difficulty mainly comes from a lack of accurate and efficient exchange-correlation functional in elucidating the amphiphilic nature and the ubiquitous proton transfer behaviors of the two ions. By adopting the strongly-constrained and appropriately normed (SCAN) meta-GGA functional in AIMD simulations, we systematically examine the amphiphilic properties, the solvation structures, the electronic structures, and the dynamic prope"},"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":"2110.04470","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-10-09T06:40:50Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"cc30ec1256c7061aff24e70046059ab94af249fb7caaf98aeed3f4dfe065433d","abstract_canon_sha256":"45f53d491461ab0ce67dc6ff3e0f36f06af54f87c7def892667a3a72c0a74a6f"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T04:41:26.199226Z","signature_b64":"W2hxtfxx6rWl8GOhmK/JZndhIdMs9zSK/nfR0j1HsUTaEvVMEGQu5E8menDw48fMNSaFnjjnChU07prxeBecBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"2c33ab3b8aeab35188cb7ccdb05ae18b5667b04c806bbfaea724370334419e71","last_reissued_at":"2026-07-05T04:41:26.198860Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T04:41:26.198860Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Structural and Dynamic Properties of Solvated Hydroxide and Hydronium Ions in Water from Ab Initio Modeling","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Chunyi Zhang, Jianchuan Liu, Mohan Chen, Renxi Liu, Xifan Wu, Xinyuan Liang","submitted_at":"2021-10-09T06:40:50Z","abstract_excerpt":"Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water has been a challenging task from ab initio molecular dynamics (AIMD). The difficulty mainly comes from a lack of accurate and efficient exchange-correlation functional in elucidating the amphiphilic nature and the ubiquitous proton transfer behaviors of the two ions. By adopting the strongly-constrained and appropriately normed (SCAN) meta-GGA functional in AIMD simulations, we systematically examine the amphiphilic properties, the solvation structures, the electronic structures, and the dynamic prope"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2110.04470","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/2110.04470/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":"2110.04470","created_at":"2026-07-05T04:41:26.198915+00:00"},{"alias_kind":"arxiv_version","alias_value":"2110.04470v2","created_at":"2026-07-05T04:41:26.198915+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2110.04470","created_at":"2026-07-05T04:41:26.198915+00:00"},{"alias_kind":"pith_short_12","alias_value":"FQZ2WO4K5KZV","created_at":"2026-07-05T04:41:26.198915+00:00"},{"alias_kind":"pith_short_16","alias_value":"FQZ2WO4K5KZVDCGL","created_at":"2026-07-05T04:41:26.198915+00:00"},{"alias_kind":"pith_short_8","alias_value":"FQZ2WO4K","created_at":"2026-07-05T04:41:26.198915+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/FQZ2WO4K5KZVDCGLPTG3AWXBRN","json":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN.json","graph_json":"https://pith.science/api/pith-number/FQZ2WO4K5KZVDCGLPTG3AWXBRN/graph.json","events_json":"https://pith.science/api/pith-number/FQZ2WO4K5KZVDCGLPTG3AWXBRN/events.json","paper":"https://pith.science/paper/FQZ2WO4K"},"agent_actions":{"view_html":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN","download_json":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN.json","view_paper":"https://pith.science/paper/FQZ2WO4K","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2110.04470&json=true","fetch_graph":"https://pith.science/api/pith-number/FQZ2WO4K5KZVDCGLPTG3AWXBRN/graph.json","fetch_events":"https://pith.science/api/pith-number/FQZ2WO4K5KZVDCGLPTG3AWXBRN/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN/action/timestamp_anchor","attest_storage":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN/action/storage_attestation","attest_author":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN/action/author_attestation","sign_citation":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN/action/citation_signature","submit_replication":"https://pith.science/pith/FQZ2WO4K5KZVDCGLPTG3AWXBRN/action/replication_record"}},"created_at":"2026-07-05T04:41:26.198915+00:00","updated_at":"2026-07-05T04:41:26.198915+00:00"}