{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:JOWB3WVSLEODXWMMMRZ3VREYQ7","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":"c01ab3f1156e96d1a0a8a72b3a90ff6d5c4a15306b29b3da30d3a52020e4e30c","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2018-03-28T09:48:36Z","title_canon_sha256":"e59af640a80440963c9a076b10a60a29428077e38d00705963ece1f401dbb23e"},"schema_version":"1.0","source":{"id":"1803.10491","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1803.10491","created_at":"2026-05-18T00:18:04Z"},{"alias_kind":"arxiv_version","alias_value":"1803.10491v2","created_at":"2026-05-18T00:18:04Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1803.10491","created_at":"2026-05-18T00:18:04Z"},{"alias_kind":"pith_short_12","alias_value":"JOWB3WVSLEOD","created_at":"2026-05-18T12:32:31Z"},{"alias_kind":"pith_short_16","alias_value":"JOWB3WVSLEODXWMM","created_at":"2026-05-18T12:32:31Z"},{"alias_kind":"pith_short_8","alias_value":"JOWB3WVS","created_at":"2026-05-18T12:32:31Z"}],"graph_snapshots":[{"event_id":"sha256:dbeeb82267d83349d53442de29ab504fd1d0687dac576066c525b39f971cf134","target":"graph","created_at":"2026-05-18T00:18:04Z","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"},"paper":{"abstract_excerpt":"All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for deep comprehension of the assembled structure, obtaining a reliable equilibrated configuration for these soft assemblies in aqueous solution remains a challenging task mainly due to the complexity of the atomistic systems and the long simulation time needed for their equilibration. Here we have tested two well-known advanced simulation methods (Accelerated Molecular Dynamics and Metadynamics) on an atomistic model o","authors_text":"Davide Bochicchio, Giovanni M. Pavan","cross_cats":["physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2018-03-28T09:48:36Z","title":"Accelerated Atomistic Simulations of a Supramolecular Polymer in Water"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1803.10491","kind":"arxiv","version":2},"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":"sha256:0043ce7833279364f8e29d412dd8443722d10658ded44b7ee60268f55961400b","target":"record","created_at":"2026-05-18T00:18:04Z","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":"c01ab3f1156e96d1a0a8a72b3a90ff6d5c4a15306b29b3da30d3a52020e4e30c","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2018-03-28T09:48:36Z","title_canon_sha256":"e59af640a80440963c9a076b10a60a29428077e38d00705963ece1f401dbb23e"},"schema_version":"1.0","source":{"id":"1803.10491","kind":"arxiv","version":2}},"canonical_sha256":"4bac1ddab2591c3bd98c6473bac49887d9b17f99cb31bb54fbb3b2f18671a98f","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"4bac1ddab2591c3bd98c6473bac49887d9b17f99cb31bb54fbb3b2f18671a98f","first_computed_at":"2026-05-18T00:18:04.948620Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:18:04.948620Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"PIOIWMgbCq4ycUbKqlFfUCsu0/OhMczPhgud0awKITQ9rRVVlZb0y498QqBOF48aIF62BNZoiuA/v7z98TPaBw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:18:04.949154Z","signed_message":"canonical_sha256_bytes"},"source_id":"1803.10491","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0043ce7833279364f8e29d412dd8443722d10658ded44b7ee60268f55961400b","sha256:dbeeb82267d83349d53442de29ab504fd1d0687dac576066c525b39f971cf134"],"state_sha256":"abc2a7b529bc17d3c45724d579e20cbd3e47266dbb3f54954baff5c1e6184b86"}