{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:6V2WBFKBNH5VE5JO4UL5IR3KWX","short_pith_number":"pith:6V2WBFKB","canonical_record":{"source":{"id":"2502.21233","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-02-28T17:03:01Z","cross_cats_sorted":[],"title_canon_sha256":"bb3c8190f62068fa74a7f334389cdba203033e0b1d8ff0e02b14ae3cf8ddbd7f","abstract_canon_sha256":"f5932e2f1f5379645cf5c58324a02ac0f973fbec8d3787e0a81746d1792c138d"},"schema_version":"1.0"},"canonical_sha256":"f57560954169fb52752ee517d4476ab5d2afcb3360aebd72a06baf94e95f702b","source":{"kind":"arxiv","id":"2502.21233","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2502.21233","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"arxiv_version","alias_value":"2502.21233v1","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2502.21233","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_12","alias_value":"6V2WBFKBNH5V","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_16","alias_value":"6V2WBFKBNH5VE5JO","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_8","alias_value":"6V2WBFKB","created_at":"2026-07-05T10:21:46Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:6V2WBFKBNH5VE5JO4UL5IR3KWX","target":"record","payload":{"canonical_record":{"source":{"id":"2502.21233","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-02-28T17:03:01Z","cross_cats_sorted":[],"title_canon_sha256":"bb3c8190f62068fa74a7f334389cdba203033e0b1d8ff0e02b14ae3cf8ddbd7f","abstract_canon_sha256":"f5932e2f1f5379645cf5c58324a02ac0f973fbec8d3787e0a81746d1792c138d"},"schema_version":"1.0"},"canonical_sha256":"f57560954169fb52752ee517d4476ab5d2afcb3360aebd72a06baf94e95f702b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:21:46.621257Z","signature_b64":"4znpzbxYzitq88lzotKw3vP+oo/RhdHFa2CwhOdLxiddg2n6LDPtwVgx6g8b0Yvo7b7VnSW/8Q6en5wAsUlcBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f57560954169fb52752ee517d4476ab5d2afcb3360aebd72a06baf94e95f702b","last_reissued_at":"2026-07-05T10:21:46.620792Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:21:46.620792Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2502.21233","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":"2026-07-05T10:21:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ge8HzlNkzh5qHOhcHxuN4GYXk4l0qFjD7q2WHrbaT9YymVam1461itVleVIwmiElZAcMM27VbrRi0ExutCALAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-13T14:51:02.139594Z"},"content_sha256":"5fbeb623ba627e705f749fb7e612591c118892b74bb295040f00ef6e1e56b14f","schema_version":"1.0","event_id":"sha256:5fbeb623ba627e705f749fb7e612591c118892b74bb295040f00ef6e1e56b14f"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:6V2WBFKBNH5VE5JO4UL5IR3KWX","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Structure and Dynamics of Deep Eutectic Systems from Cluster-Optimized Energy Functions","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Jingchun Wang, Kai T\\\"opfer, Markus Meuwly, Shimoni Patel","submitted_at":"2025-02-28T17:03:01Z","abstract_excerpt":"Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at the density functional theory level and machine learning-based energy functions for a spectroscopic reporter for eutectic mixtures consisting of water, acetamide and KSCN. Two water models are considered: TIP3P which is consistent with the CGenFF energy function and TIP4P which - as a water model - is superior to TIP4P. Both fitted models, {\\bf M2$^{\\rm TIP3"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.21233","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/2502.21233/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":"2026-07-05T10:21:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"LJWVlDSt1/aeXZg3qKBLvulQ9QHtKySNaL6GWnoW/PvKudMJaNgg2zuzzxOxUHyCwanWToQK/hbBVR0eLruMDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-13T14:51:02.140477Z"},"content_sha256":"7d96e9c25a989581c4abdcbd8d198e52300918d69e7a4057193537ec368f8c96","schema_version":"1.0","event_id":"sha256:7d96e9c25a989581c4abdcbd8d198e52300918d69e7a4057193537ec368f8c96"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/bundle.json","state_url":"https://pith.science/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/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":"2026-08-13T14:51:02Z","links":{"resolver":"https://pith.science/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX","bundle":"https://pith.science/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/bundle.json","state":"https://pith.science/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/state.json","well_known_bundle":"https://pith.science/.well-known/pith/6V2WBFKBNH5VE5JO4UL5IR3KWX/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:6V2WBFKBNH5VE5JO4UL5IR3KWX","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":"f5932e2f1f5379645cf5c58324a02ac0f973fbec8d3787e0a81746d1792c138d","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-02-28T17:03:01Z","title_canon_sha256":"bb3c8190f62068fa74a7f334389cdba203033e0b1d8ff0e02b14ae3cf8ddbd7f"},"schema_version":"1.0","source":{"id":"2502.21233","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2502.21233","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"arxiv_version","alias_value":"2502.21233v1","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2502.21233","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_12","alias_value":"6V2WBFKBNH5V","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_16","alias_value":"6V2WBFKBNH5VE5JO","created_at":"2026-07-05T10:21:46Z"},{"alias_kind":"pith_short_8","alias_value":"6V2WBFKB","created_at":"2026-07-05T10:21:46Z"}],"graph_snapshots":[{"event_id":"sha256:7d96e9c25a989581c4abdcbd8d198e52300918d69e7a4057193537ec368f8c96","target":"graph","created_at":"2026-07-05T10:21:46Z","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/2502.21233/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at the density functional theory level and machine learning-based energy functions for a spectroscopic reporter for eutectic mixtures consisting of water, acetamide and KSCN. Two water models are considered: TIP3P which is consistent with the CGenFF energy function and TIP4P which - as a water model - is superior to TIP4P. Both fitted models, {\\bf M2$^{\\rm TIP3","authors_text":"Jingchun Wang, Kai T\\\"opfer, Markus Meuwly, Shimoni Patel","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-02-28T17:03:01Z","title":"Structure and Dynamics of Deep Eutectic Systems from Cluster-Optimized Energy Functions"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.21233","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":"sha256:5fbeb623ba627e705f749fb7e612591c118892b74bb295040f00ef6e1e56b14f","target":"record","created_at":"2026-07-05T10:21:46Z","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":"f5932e2f1f5379645cf5c58324a02ac0f973fbec8d3787e0a81746d1792c138d","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-02-28T17:03:01Z","title_canon_sha256":"bb3c8190f62068fa74a7f334389cdba203033e0b1d8ff0e02b14ae3cf8ddbd7f"},"schema_version":"1.0","source":{"id":"2502.21233","kind":"arxiv","version":1}},"canonical_sha256":"f57560954169fb52752ee517d4476ab5d2afcb3360aebd72a06baf94e95f702b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f57560954169fb52752ee517d4476ab5d2afcb3360aebd72a06baf94e95f702b","first_computed_at":"2026-07-05T10:21:46.620792Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:21:46.620792Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"4znpzbxYzitq88lzotKw3vP+oo/RhdHFa2CwhOdLxiddg2n6LDPtwVgx6g8b0Yvo7b7VnSW/8Q6en5wAsUlcBw==","signature_status":"signed_v1","signed_at":"2026-07-05T10:21:46.621257Z","signed_message":"canonical_sha256_bytes"},"source_id":"2502.21233","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5fbeb623ba627e705f749fb7e612591c118892b74bb295040f00ef6e1e56b14f","sha256:7d96e9c25a989581c4abdcbd8d198e52300918d69e7a4057193537ec368f8c96"],"state_sha256":"011b7e864da5cb95a7a70ef5a6165567b35034427b69359ab21175f08aa97e73"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"dlx3C5roc155xlHtrOiB5kPlryQNrOGr55WrQHfFEzA5nnufSf2l8g6uzfjJU7JtrLaSstpHBseh7PiEPgTDCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-13T14:51:02.145349Z","bundle_sha256":"d978130d4a5687af72d701e742eb20b75a31f86f3e6163c380905c5755c94685"}}