{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:HYU7OGJTZZDG7EEQWAC26O2VPU","short_pith_number":"pith:HYU7OGJT","canonical_record":{"source":{"id":"2505.03355","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-06T09:24:29Z","cross_cats_sorted":[],"title_canon_sha256":"346faf69dbdbba7d7ed19a7bebb30d7f77da988c8439e89acc5f87ba81b34a48","abstract_canon_sha256":"0a3221320171bd51093642fdce63f29ee5af3941ad6df877faff70c8e7df700f"},"schema_version":"1.0"},"canonical_sha256":"3e29f71933ce466f9090b005af3b557d2e7073306a1784610d6c8487ac334c3b","source":{"kind":"arxiv","id":"2505.03355","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.03355","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"arxiv_version","alias_value":"2505.03355v1","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.03355","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_12","alias_value":"HYU7OGJTZZDG","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_16","alias_value":"HYU7OGJTZZDG7EEQ","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_8","alias_value":"HYU7OGJT","created_at":"2026-07-05T10:59:14Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:HYU7OGJTZZDG7EEQWAC26O2VPU","target":"record","payload":{"canonical_record":{"source":{"id":"2505.03355","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-06T09:24:29Z","cross_cats_sorted":[],"title_canon_sha256":"346faf69dbdbba7d7ed19a7bebb30d7f77da988c8439e89acc5f87ba81b34a48","abstract_canon_sha256":"0a3221320171bd51093642fdce63f29ee5af3941ad6df877faff70c8e7df700f"},"schema_version":"1.0"},"canonical_sha256":"3e29f71933ce466f9090b005af3b557d2e7073306a1784610d6c8487ac334c3b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:59:14.515578Z","signature_b64":"YrjnxC6LAOFrTuStwWUuVbs/tFMpzaC7DaEUWVkmgJwAIpjkJ/y5SfXx3td74zTggXcSmJg6wCfygGm1ulbxBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3e29f71933ce466f9090b005af3b557d2e7073306a1784610d6c8487ac334c3b","last_reissued_at":"2026-07-05T10:59:14.515154Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:59:14.515154Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2505.03355","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":"2026-07-05T10:59:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"eF4l/WXXiijE2SUKXGXaAc3hcGRNlaTsY3Vbph9AA0CCLc0NQ76sF652Fj7HEP5+/9PRq4r9OHUiy3Zt1PBzCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-06T08:56:55.702185Z"},"content_sha256":"aa6a8ecfbda55749e033f96477b2867f005b3353ecad2cf4cae10cd558c7901c","schema_version":"1.0","event_id":"sha256:aa6a8ecfbda55749e033f96477b2867f005b3353ecad2cf4cae10cd558c7901c"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:HYU7OGJTZZDG7EEQWAC26O2VPU","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Lipeng Chen, Maxim F. Gelin, Sebastian V. Pios, Wolfgang Domcke","submitted_at":"2025-05-06T09:24:29Z","abstract_excerpt":"Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) reactions in hydrogen-bonded complexes of tri-anisole-heptazine with substituted phenols in organic solvents. In the present work, the electron and proton transfer dynamics driven by a femtosecond pump pulse and a time-delayed femtosecond push pulse has been studied with ab initio on-the-fly nonadiabatic trajectory calculations for the hydrogen-bonded heptazine-H2O complex. While the dynamics following the pump pulse "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.03355","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/2505.03355/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":"2026-07-05T10:59:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+7bYJ5IEodGth3ieQ9LPt5UDEKVi6/pgVtVy9gxgPLo12aTEbQAzzf4m4OkwLdNvIHtRhBP1e1kntu72KgvBCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-06T08:56:55.702775Z"},"content_sha256":"448bfdd75344a0eefb817d85b4395f9ffbb81a25cd2e304cd6ff4dd7b7aa00ac","schema_version":"1.0","event_id":"sha256:448bfdd75344a0eefb817d85b4395f9ffbb81a25cd2e304cd6ff4dd7b7aa00ac"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/bundle.json","state_url":"https://pith.science/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/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":"2026-08-06T08:56:55Z","links":{"resolver":"https://pith.science/pith/HYU7OGJTZZDG7EEQWAC26O2VPU","bundle":"https://pith.science/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/bundle.json","state":"https://pith.science/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/state.json","well_known_bundle":"https://pith.science/.well-known/pith/HYU7OGJTZZDG7EEQWAC26O2VPU/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:HYU7OGJTZZDG7EEQWAC26O2VPU","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":"0a3221320171bd51093642fdce63f29ee5af3941ad6df877faff70c8e7df700f","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-06T09:24:29Z","title_canon_sha256":"346faf69dbdbba7d7ed19a7bebb30d7f77da988c8439e89acc5f87ba81b34a48"},"schema_version":"1.0","source":{"id":"2505.03355","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.03355","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"arxiv_version","alias_value":"2505.03355v1","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.03355","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_12","alias_value":"HYU7OGJTZZDG","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_16","alias_value":"HYU7OGJTZZDG7EEQ","created_at":"2026-07-05T10:59:14Z"},{"alias_kind":"pith_short_8","alias_value":"HYU7OGJT","created_at":"2026-07-05T10:59:14Z"}],"graph_snapshots":[{"event_id":"sha256:448bfdd75344a0eefb817d85b4395f9ffbb81a25cd2e304cd6ff4dd7b7aa00ac","target":"graph","created_at":"2026-07-05T10:59:14Z","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/2505.03355/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Pump-push-probe spectroscopy was employed for the exploration of charge-separation processes in organic photovoltaic blends as well as for proton-coupled electron-transfer (PCET) reactions in hydrogen-bonded complexes of tri-anisole-heptazine with substituted phenols in organic solvents. In the present work, the electron and proton transfer dynamics driven by a femtosecond pump pulse and a time-delayed femtosecond push pulse has been studied with ab initio on-the-fly nonadiabatic trajectory calculations for the hydrogen-bonded heptazine-H2O complex. While the dynamics following the pump pulse ","authors_text":"Lipeng Chen, Maxim F. Gelin, Sebastian V. Pios, Wolfgang Domcke","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-06T09:24:29Z","title":"Simulation of Pump-Push Molecular Dynamics in the Heptazine-H2O Complex"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.03355","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:aa6a8ecfbda55749e033f96477b2867f005b3353ecad2cf4cae10cd558c7901c","target":"record","created_at":"2026-07-05T10:59:14Z","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":"0a3221320171bd51093642fdce63f29ee5af3941ad6df877faff70c8e7df700f","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-06T09:24:29Z","title_canon_sha256":"346faf69dbdbba7d7ed19a7bebb30d7f77da988c8439e89acc5f87ba81b34a48"},"schema_version":"1.0","source":{"id":"2505.03355","kind":"arxiv","version":1}},"canonical_sha256":"3e29f71933ce466f9090b005af3b557d2e7073306a1784610d6c8487ac334c3b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3e29f71933ce466f9090b005af3b557d2e7073306a1784610d6c8487ac334c3b","first_computed_at":"2026-07-05T10:59:14.515154Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:59:14.515154Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"YrjnxC6LAOFrTuStwWUuVbs/tFMpzaC7DaEUWVkmgJwAIpjkJ/y5SfXx3td74zTggXcSmJg6wCfygGm1ulbxBw==","signature_status":"signed_v1","signed_at":"2026-07-05T10:59:14.515578Z","signed_message":"canonical_sha256_bytes"},"source_id":"2505.03355","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:aa6a8ecfbda55749e033f96477b2867f005b3353ecad2cf4cae10cd558c7901c","sha256:448bfdd75344a0eefb817d85b4395f9ffbb81a25cd2e304cd6ff4dd7b7aa00ac"],"state_sha256":"b3d3923a7b9850aa4b7d4d1849dcb70ef0de6090dca32736d9bd57aed7887420"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"PiFQux6BtBmRHCex9K69aUDjEk0/ZmYEDs2MbCWCTMBeeeCAG7BiOMSElFQaeQ0aSt4N+XIG4LI3QERJrZ++Aw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-06T08:56:55.706231Z","bundle_sha256":"532c2bde9d5175ddcac7386f83210ff0533897b800358d237ce01ab37b59cda8"}}