{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:HT7F6FRE5NDCKCUHTCFB44DCCI","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"a89b4bb1e1058e9b103da6307468eb024e35844b7ef20961a1f7f47507d681e8","cross_cats_sorted":["cond-mat.dis-nn","cond-mat.soft","cond-mat.stat-mech","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-19T07:30:25Z","title_canon_sha256":"bab7429e461a91e5bbd08f6a17f13b68691649ca3812ba0a1bf6d15f16db055e"},"schema_version":"1.0","source":{"id":"2310.12535","kind":"arxiv","version":4}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2310.12535","created_at":"2026-07-05T09:35:46Z"},{"alias_kind":"arxiv_version","alias_value":"2310.12535v4","created_at":"2026-07-05T09:35:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2310.12535","created_at":"2026-07-05T09:35:46Z"},{"alias_kind":"pith_short_12","alias_value":"HT7F6FRE5NDC","created_at":"2026-07-05T09:35:46Z"},{"alias_kind":"pith_short_16","alias_value":"HT7F6FRE5NDCKCUH","created_at":"2026-07-05T09:35:46Z"},{"alias_kind":"pith_short_8","alias_value":"HT7F6FRE","created_at":"2026-07-05T09:35:46Z"}],"graph_snapshots":[{"event_id":"sha256:a4c5856c28610ec12121c8e7f1105293eb1c07b5c9d1c03fec29bd99fcbb9f44","target":"graph","created_at":"2026-07-05T09:35:46Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2310.12535/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Electrolyte solutions play critical role in a vast range of important applications, yet an accurate and scalable method of predicting their properties without fitting to experiment has remained out of reach, despite over a century of effort. Here, we combine state-of-the-art density functional theory and equivariant neural network potentials to demonstrate this capability, reproducing key structural, thermodynamic, and kinetic properties. We show that neural network potentials (NNPs) can be recursively trained on a subset of their own output to enable coarse-grained/continuum-solvent molecular","authors_text":"Joshua Pagotto, Junji Zhang, Tim Gould, Timothy T. Duignan","cross_cats":["cond-mat.dis-nn","cond-mat.soft","cond-mat.stat-mech","physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-19T07:30:25Z","title":"Scalable molecular simulation of electrolyte solutions with quantum chemical accuracy"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2310.12535","kind":"arxiv","version":4},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:7abfe25f94d98c64a076c10205ae7b99a9e4a52bef8d6c234c333e0ba8c214c5","target":"record","created_at":"2026-07-05T09:35:46Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"a89b4bb1e1058e9b103da6307468eb024e35844b7ef20961a1f7f47507d681e8","cross_cats_sorted":["cond-mat.dis-nn","cond-mat.soft","cond-mat.stat-mech","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-19T07:30:25Z","title_canon_sha256":"bab7429e461a91e5bbd08f6a17f13b68691649ca3812ba0a1bf6d15f16db055e"},"schema_version":"1.0","source":{"id":"2310.12535","kind":"arxiv","version":4}},"canonical_sha256":"3cfe5f1624eb46250a87988a1e7062120b47507e7944e86f1902d48fdc9f40b3","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3cfe5f1624eb46250a87988a1e7062120b47507e7944e86f1902d48fdc9f40b3","first_computed_at":"2026-07-05T09:35:46.547632Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:35:46.547632Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"WeQtQCiI9V9s/JYPDQwCyAbgPABoRm/QeOOL/GW8OxSbfsU0eoxDsC1U67IrBLgjIvpesT2UNZ+hm3+fowxNAg==","signature_status":"signed_v1","signed_at":"2026-07-05T09:35:46.548163Z","signed_message":"canonical_sha256_bytes"},"source_id":"2310.12535","source_kind":"arxiv","source_version":4}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7abfe25f94d98c64a076c10205ae7b99a9e4a52bef8d6c234c333e0ba8c214c5","sha256:a4c5856c28610ec12121c8e7f1105293eb1c07b5c9d1c03fec29bd99fcbb9f44"],"state_sha256":"59b75bec726be6cd0f82b588d606e5c89d7f60cd99c549848c9f46b06e3100cb"}