{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:43NDTLFEW643VE2QLINOXU6NCL","short_pith_number":"pith:43NDTLFE","canonical_record":{"source":{"id":"2608.05845","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2026-08-06T10:17:54Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"f1f35502c4598c3429ba692ae49a5cf69e1884ea2a9bd9e91530b30faba3d6ae","abstract_canon_sha256":"19e755337f0b766ecea279f2cb56ff740f8e02f830884090564c28e13781d8a2"},"schema_version":"1.0"},"canonical_sha256":"e6da39aca4b7b9ba93505a1aebd3cd12e29c026799af207c3652f9aac1a74767","source":{"kind":"arxiv","id":"2608.05845","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2608.05845","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"arxiv_version","alias_value":"2608.05845v1","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2608.05845","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_12","alias_value":"43NDTLFEW643","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_16","alias_value":"43NDTLFEW643VE2Q","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_8","alias_value":"43NDTLFE","created_at":"2026-08-07T00:52:52Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:43NDTLFEW643VE2QLINOXU6NCL","target":"record","payload":{"canonical_record":{"source":{"id":"2608.05845","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2026-08-06T10:17:54Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"f1f35502c4598c3429ba692ae49a5cf69e1884ea2a9bd9e91530b30faba3d6ae","abstract_canon_sha256":"19e755337f0b766ecea279f2cb56ff740f8e02f830884090564c28e13781d8a2"},"schema_version":"1.0"},"canonical_sha256":"e6da39aca4b7b9ba93505a1aebd3cd12e29c026799af207c3652f9aac1a74767","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-08-07T00:52:52.548628Z","signature_b64":"p6J+eK0wr3x6r7J4SwZFifQ7LDufOSXCUvfxbcb7AkKypMwhox7DZMNG4lZXMuoDzyA9RQb1ukZK1lDb3sDrCg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e6da39aca4b7b9ba93505a1aebd3cd12e29c026799af207c3652f9aac1a74767","last_reissued_at":"2026-08-07T00:52:52.547171Z","signature_status":"signed_v1","first_computed_at":"2026-08-07T00:52:52.547171Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2608.05845","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-08-07T00:52:52Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"K/0ghott9b0+Y3PDGufHp/RwTo+D0jX8kqU9lNa/tUA9EzGIPhLS0Xtw0k62GJ3cezIEBlbqbDgfOne+F5XcBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-13T05:03:22.544079Z"},"content_sha256":"5bd5f9b9867e172df76d61ad4e890dc50630d2bf8e0254cff1222f4160622ed1","schema_version":"1.0","event_id":"sha256:5bd5f9b9867e172df76d61ad4e890dc50630d2bf8e0254cff1222f4160622ed1"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:43NDTLFEW643VE2QLINOXU6NCL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Computing Shear Viscosities from Molecular Dynamics Simulation: Comparing the OrthoBoXY Approach with the Green-Kubo Method","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.stat-mech","authors_text":"Dietmar Paschek, Marcel Brandt, Ralf Ludwig","submitted_at":"2026-08-06T10:17:54Z","abstract_excerpt":"We calculated shear viscosities of 15 neat molecular liquids from equilibrium molecular dynamics (MD) simulations using the OrthoBoXY approach and compare them to viscosities calculated via the Green-Kubo method. Data from both methods agree very well. Here, we show how to avoid pitfalls while computing the OrthoBoXY-data to obtain optimal results. From simulations of multiple system sizes, we could verify that the viscosity of molecular liquids is not influenced by finite size effects down to systems as small as 250 molecules. Moreover, we demonstrate that also the standard error of the visco"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2608.05845","kind":"arxiv","version":1},"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/2608.05845/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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-08-07T00:52:52Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"++utndIr7bYMcLO/dEsDum4HG1ZD1cgs0DgpGmTVfQiYuDB4ryFSyq6J2iyLufpqDjw1SMiytWNn/ed6/d1yDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-13T05:03:22.544801Z"},"content_sha256":"c8e4bee5bf83c0cc65a8acad51b3de397b3be46d24a2bf8b2caf5b20d837f6d9","schema_version":"1.0","event_id":"sha256:c8e4bee5bf83c0cc65a8acad51b3de397b3be46d24a2bf8b2caf5b20d837f6d9"},{"event_type":"integrity_finding","subject_pith_number":"pith:2026:43NDTLFEW643VE2QLINOXU6NCL","target":"integrity","payload":{"note":"DOI is split by whitespace or line breaks in the printed bibliography. Reconstructed DOI 10.1002/(sici)1099-1395(200001)13:1<80::AID-POC179>3.0.CO;2-8 resolves to 'Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship'. A reader following the printed text alone cannot reach it.","snippet":"Prediction of Liquid Viscosity for Organic Compounds by a Quantitative Structure--Property Relationship , author =. J. Phys. Org. Chem. , volume =. doi:10.1002/(SICI)1099-1395(200001)13:1<80::AID-POC179>3.0.CO;2-8 , urldate =","arxiv_id":"2608.05845","detector":"doi_compliance","evidence":{"ref_index":34,"verdict_class":"incontrovertible","resolved_title":"Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship","printed_excerpt":"10.1002/(sici)1099-1395(200001)13:1","reconstructed_doi":"10.1002/(sici)1099-1395(200001)13:1<80::AID-POC179>3.0.CO;2-8"},"severity":"advisory","ref_index":34,"audited_at":"2026-08-07T22:38:08.277711Z","event_type":"pith.integrity.v1","detected_doi":"10.1002/(sici)1099-1395(200001)13:1<80::AID-POC179>3.0.CO;2-8","detector_url":"https://pith.science/pith-integrity-protocol#doi_compliance","external_url":null,"finding_type":"recoverable_identifier","evidence_hash":"4908ba13366929a8aaa0f2be1da3339ce0768e63be2e4b3ce69053102efa5ae1","paper_version":1,"verdict_class":"incontrovertible","resolved_title":"Prediction of liquid viscosity for organic compounds by a quantitative structure-property relationship","detector_version":"1.1.0","detected_arxiv_id":null,"integrity_event_id":18558,"payload_sha256":"deb6142ce6d547fef709a0c9edd7dc8b0b3699e30727fb01d99fe754722e20a5","signature_b64":"uJm607pDyyfwI19mjQ1iNiXKbjPyAHcXXV3ZWswI5B9xZOClJG7SFchkCNHy9Y9PcIZIQnZMMqGltKqDxM9ABg==","signing_key_id":"pith-v1-2026-05"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-08-07T22:38:35Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"fQAxoQqxWMV7yeeDWFn9P4yKYzTA+AjlYkwGyA/qVV0u61NT/4kiWrTEQmw+Qt/tW4H1z45Gl+BD9/XU1/g3DQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-13T05:03:22.578479Z"},"content_sha256":"16df411ca4ccb6ce13b2eeff165bbb5b6636a9da43231a00286264861949f23e","schema_version":"1.0","event_id":"sha256:16df411ca4ccb6ce13b2eeff165bbb5b6636a9da43231a00286264861949f23e"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/43NDTLFEW643VE2QLINOXU6NCL/bundle.json","state_url":"https://pith.science/pith/43NDTLFEW643VE2QLINOXU6NCL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/43NDTLFEW643VE2QLINOXU6NCL/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-13T05:03:22Z","links":{"resolver":"https://pith.science/pith/43NDTLFEW643VE2QLINOXU6NCL","bundle":"https://pith.science/pith/43NDTLFEW643VE2QLINOXU6NCL/bundle.json","state":"https://pith.science/pith/43NDTLFEW643VE2QLINOXU6NCL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/43NDTLFEW643VE2QLINOXU6NCL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:43NDTLFEW643VE2QLINOXU6NCL","merge_version":"pith-open-graph-merge-v1","event_count":3,"valid_event_count":3,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"19e755337f0b766ecea279f2cb56ff740f8e02f830884090564c28e13781d8a2","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2026-08-06T10:17:54Z","title_canon_sha256":"f1f35502c4598c3429ba692ae49a5cf69e1884ea2a9bd9e91530b30faba3d6ae"},"schema_version":"1.0","source":{"id":"2608.05845","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2608.05845","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"arxiv_version","alias_value":"2608.05845v1","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2608.05845","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_12","alias_value":"43NDTLFEW643","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_16","alias_value":"43NDTLFEW643VE2Q","created_at":"2026-08-07T00:52:52Z"},{"alias_kind":"pith_short_8","alias_value":"43NDTLFE","created_at":"2026-08-07T00:52:52Z"}],"graph_snapshots":[{"event_id":"sha256:c8e4bee5bf83c0cc65a8acad51b3de397b3be46d24a2bf8b2caf5b20d837f6d9","target":"graph","created_at":"2026-08-07T00:52:52Z","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/2608.05845/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We calculated shear viscosities of 15 neat molecular liquids from equilibrium molecular dynamics (MD) simulations using the OrthoBoXY approach and compare them to viscosities calculated via the Green-Kubo method. Data from both methods agree very well. Here, we show how to avoid pitfalls while computing the OrthoBoXY-data to obtain optimal results. From simulations of multiple system sizes, we could verify that the viscosity of molecular liquids is not influenced by finite size effects down to systems as small as 250 molecules. Moreover, we demonstrate that also the standard error of the visco","authors_text":"Dietmar Paschek, Marcel Brandt, Ralf Ludwig","cross_cats":["physics.chem-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2026-08-06T10:17:54Z","title":"Computing Shear Viscosities from Molecular Dynamics Simulation: Comparing the OrthoBoXY Approach with the Green-Kubo Method"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2608.05845","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":"sha256:5bd5f9b9867e172df76d61ad4e890dc50630d2bf8e0254cff1222f4160622ed1","target":"record","created_at":"2026-08-07T00:52:52Z","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":"19e755337f0b766ecea279f2cb56ff740f8e02f830884090564c28e13781d8a2","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2026-08-06T10:17:54Z","title_canon_sha256":"f1f35502c4598c3429ba692ae49a5cf69e1884ea2a9bd9e91530b30faba3d6ae"},"schema_version":"1.0","source":{"id":"2608.05845","kind":"arxiv","version":1}},"canonical_sha256":"e6da39aca4b7b9ba93505a1aebd3cd12e29c026799af207c3652f9aac1a74767","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e6da39aca4b7b9ba93505a1aebd3cd12e29c026799af207c3652f9aac1a74767","first_computed_at":"2026-08-07T00:52:52.547171Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-08-07T00:52:52.547171Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"p6J+eK0wr3x6r7J4SwZFifQ7LDufOSXCUvfxbcb7AkKypMwhox7DZMNG4lZXMuoDzyA9RQb1ukZK1lDb3sDrCg==","signature_status":"signed_v1","signed_at":"2026-08-07T00:52:52.548628Z","signed_message":"canonical_sha256_bytes"},"source_id":"2608.05845","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5bd5f9b9867e172df76d61ad4e890dc50630d2bf8e0254cff1222f4160622ed1","sha256:c8e4bee5bf83c0cc65a8acad51b3de397b3be46d24a2bf8b2caf5b20d837f6d9","sha256:16df411ca4ccb6ce13b2eeff165bbb5b6636a9da43231a00286264861949f23e"],"state_sha256":"b43a8268cf56557626f5519b07cff7b9b37b0b440fa13f280a3ed772103ef87f"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"vh7jT7zugSBkrvBjX3O/Cvnvs19Bk8L1ouPf2Eg4OVGtTpfyBhjgyyJX/tAcGlHqGpuFSfHAwwqnu6VD0sxKBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-13T05:03:22.580992Z","bundle_sha256":"03d71f50fc959e36468505f06d49c0bbae083e9d793dcef9df7f834fab3d0de4"}}