{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:ZI4EIR2S25L3TFUCJLEAC64GCH","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":"7802d38f4c1554c921e7b773d6ab74bf20abbd28da20d089f400f0693d231bb7","cross_cats_sorted":["cond-mat.mes-hall","cs.CE","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2013-05-17T11:43:34Z","title_canon_sha256":"a65f4552dfd5365c1c67b36847d78c6e40839a0298a9cbd0fe46ab16fa4e2dbf"},"schema_version":"1.0","source":{"id":"1305.4048","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1305.4048","created_at":"2026-05-18T03:25:26Z"},{"alias_kind":"arxiv_version","alias_value":"1305.4048v1","created_at":"2026-05-18T03:25:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1305.4048","created_at":"2026-05-18T03:25:26Z"},{"alias_kind":"pith_short_12","alias_value":"ZI4EIR2S25L3","created_at":"2026-05-18T12:28:09Z"},{"alias_kind":"pith_short_16","alias_value":"ZI4EIR2S25L3TFUC","created_at":"2026-05-18T12:28:09Z"},{"alias_kind":"pith_short_8","alias_value":"ZI4EIR2S","created_at":"2026-05-18T12:28:09Z"}],"graph_snapshots":[{"event_id":"sha256:39a6c5c0e6637e7e939f155d539bac8f444e6ba18c04990241bbf2031b167473","target":"graph","created_at":"2026-05-18T03:25:26Z","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":"Massively-parallel molecular dynamics simulation is applied to systems containing electrolytes, vapour-liquid interfaces, and biomolecules in contact with water-oil interfaces. Novel molecular models of alkali halide salts are presented and employed for the simulation of electrolytes in aqueous solution. The enzymatically catalysed hydroxylation of oleic acid is investigated by molecular dynamics simulation taking the internal degrees of freedom of the macromolecules into account. Thereby, Ewald summation methods are used to compute the long range electrostatic interactions. In systems with a ","authors_text":"Agnes Fr\\\"oscher, Hans Hasse, Jadran Vrabec, Juan Manuel Castillo, Martin Horsch, Stefan Becker, Steffen Reiser, Stephan Deublein, Stephan Werth","cross_cats":["cond-mat.mes-hall","cs.CE","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2013-05-17T11:43:34Z","title":"Molecular modelling and simulation of electrolyte solutions, biomolecules, and wetting of component surfaces"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1305.4048","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":"sha256:5e5810b3f939fa4e37b05234cfebd147af5f5b820ca7a740b12d5caf60bdbeac","target":"record","created_at":"2026-05-18T03:25:26Z","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":"7802d38f4c1554c921e7b773d6ab74bf20abbd28da20d089f400f0693d231bb7","cross_cats_sorted":["cond-mat.mes-hall","cs.CE","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2013-05-17T11:43:34Z","title_canon_sha256":"a65f4552dfd5365c1c67b36847d78c6e40839a0298a9cbd0fe46ab16fa4e2dbf"},"schema_version":"1.0","source":{"id":"1305.4048","kind":"arxiv","version":1}},"canonical_sha256":"ca38444752d757b996824ac8017b8611d17ed20832360edd16588ec04565b56f","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"ca38444752d757b996824ac8017b8611d17ed20832360edd16588ec04565b56f","first_computed_at":"2026-05-18T03:25:26.448376Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:25:26.448376Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"zBeApP1V2ztiUYlmujIRDJmL+jwvIDETsyUMAVlBMFHJsBzNnA+lsNJfF79QCtFM7eIAwTaqrdPok5dKpW+BDg==","signature_status":"signed_v1","signed_at":"2026-05-18T03:25:26.449099Z","signed_message":"canonical_sha256_bytes"},"source_id":"1305.4048","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5e5810b3f939fa4e37b05234cfebd147af5f5b820ca7a740b12d5caf60bdbeac","sha256:39a6c5c0e6637e7e939f155d539bac8f444e6ba18c04990241bbf2031b167473"],"state_sha256":"c362b3ddbfdc031c528a0781692177d4126a3648c7f8112683d99715c6d441b3"}