{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:3R63HG7XNHRSAPGTG2DG5MQO4L","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":"10635f35dc0f1578ce5e3f22aa7b44604943f3574b409d4673fbb604eb771b42","cross_cats_sorted":["cond-mat.stat-mech","physics.atm-clus","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2026-01-24T00:40:05Z","title_canon_sha256":"bfe5c4eed532230b9f4e1dc59185024b00fbdfec8238349104177f0042436642"},"schema_version":"1.0","source":{"id":"2601.17244","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2601.17244","created_at":"2026-07-27T00:19:46Z"},{"alias_kind":"arxiv_version","alias_value":"2601.17244v1","created_at":"2026-07-27T00:19:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2601.17244","created_at":"2026-07-27T00:19:46Z"},{"alias_kind":"pith_short_12","alias_value":"3R63HG7XNHRS","created_at":"2026-07-27T00:19:46Z"},{"alias_kind":"pith_short_16","alias_value":"3R63HG7XNHRSAPGT","created_at":"2026-07-27T00:19:46Z"},{"alias_kind":"pith_short_8","alias_value":"3R63HG7X","created_at":"2026-07-27T00:19:46Z"}],"graph_snapshots":[{"event_id":"sha256:e1b659e6327eb1d7d372c91960ff3d72d6ed605e28a9356f784ffac17e00a933","target":"graph","created_at":"2026-07-27T00:19:46Z","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/2601.17244/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Understanding concentrated electrolytes requires a theory that spans local hydration and mesoscale interfacial assembly. We present an integrated workflow-SCOPE-that combines (i) enhanced sampling focused on a single Li+ ion, (ii) reweighting of biased trajectories to recover equilibrium microstate probabilities, and (iii) a chemical-potential correction that accounts for the limited reservoir of free water in finite simulation boxes. Applied to LiCl(aq) across 0.5-26 M and 283-313 K, this approach reveals a simple organizing principle: solvated ions dominate at low concentration; contact ion ","authors_text":"David Prendergast, Fabrice Roncoroni, Tod A Pascal, Xiaoxu Ruan","cross_cats":["cond-mat.stat-mech","physics.atm-clus","physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2026-01-24T00:40:05Z","title":"Practical Considerations for Finite Concentrations Molecular Dynamics Simulations"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2601.17244","kind":"arxiv","version":1},"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:c57f35553e73714efeec582395de4793a399a56c5e16b87b7e5cdd28630a76de","target":"record","created_at":"2026-07-27T00:19:46Z","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":"10635f35dc0f1578ce5e3f22aa7b44604943f3574b409d4673fbb604eb771b42","cross_cats_sorted":["cond-mat.stat-mech","physics.atm-clus","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2026-01-24T00:40:05Z","title_canon_sha256":"bfe5c4eed532230b9f4e1dc59185024b00fbdfec8238349104177f0042436642"},"schema_version":"1.0","source":{"id":"2601.17244","kind":"arxiv","version":1}},"canonical_sha256":"dc7db39bf769e3203cd336866eb20ee2eef8ea71a0d114480d965071307269de","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"dc7db39bf769e3203cd336866eb20ee2eef8ea71a0d114480d965071307269de","first_computed_at":"2026-07-27T00:19:46.596948Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-27T00:19:46.596948Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"byLCOsXu9XQteZSRd2v4wNUbWN2yZ1H0Q4D+UCJbSHbxhuy+sumblWbEF4uv1lZ7trOpToklNLfNsUAZFEHeDw==","signature_status":"signed_v1","signed_at":"2026-07-27T00:19:46.597878Z","signed_message":"canonical_sha256_bytes"},"source_id":"2601.17244","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:c57f35553e73714efeec582395de4793a399a56c5e16b87b7e5cdd28630a76de","sha256:e1b659e6327eb1d7d372c91960ff3d72d6ed605e28a9356f784ffac17e00a933"],"state_sha256":"c48dd5dcc4a154e818c68be573be14d70e6fa621f43fa97a7303c747aad734a2"}