{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:PICS7K44BNL54WXC4LOPZ5542B","short_pith_number":"pith:PICS7K44","canonical_record":{"source":{"id":"2212.02322","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-12-05T14:47:38Z","cross_cats_sorted":[],"title_canon_sha256":"40a348dc59aa3e4fbbc3d2fc05c781e9774036bf7fed864a20ed0e7b89e89268","abstract_canon_sha256":"2e28e8de8b99eb53ca54abbf5e2830357486a3b8d96b712e830bc02d0d0f1f6b"},"schema_version":"1.0"},"canonical_sha256":"7a052fab9c0b57de5ae2e2dcfcf7bcd0728cb60c5d5b2e4991ed9382c3d2e53c","source":{"kind":"arxiv","id":"2212.02322","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.02322","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"arxiv_version","alias_value":"2212.02322v2","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.02322","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_12","alias_value":"PICS7K44BNL5","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_16","alias_value":"PICS7K44BNL54WXC","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_8","alias_value":"PICS7K44","created_at":"2026-07-05T05:28:48Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:PICS7K44BNL54WXC4LOPZ5542B","target":"record","payload":{"canonical_record":{"source":{"id":"2212.02322","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-12-05T14:47:38Z","cross_cats_sorted":[],"title_canon_sha256":"40a348dc59aa3e4fbbc3d2fc05c781e9774036bf7fed864a20ed0e7b89e89268","abstract_canon_sha256":"2e28e8de8b99eb53ca54abbf5e2830357486a3b8d96b712e830bc02d0d0f1f6b"},"schema_version":"1.0"},"canonical_sha256":"7a052fab9c0b57de5ae2e2dcfcf7bcd0728cb60c5d5b2e4991ed9382c3d2e53c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:28:48.691679Z","signature_b64":"JUxSgDT5IBVz0cAa1tBQ8V1euKVXMXXthWKOp+qaW67Dodz81V3kaGrGPYDQyNvqDTyjJ7sAOE1U7u/IaC7lBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7a052fab9c0b57de5ae2e2dcfcf7bcd0728cb60c5d5b2e4991ed9382c3d2e53c","last_reissued_at":"2026-07-05T05:28:48.691279Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:28:48.691279Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2212.02322","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T05:28:48Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"UEXWOYtlZ+yGvXZwkkO31oDMCjlSPnJ2LWpQ7mM/tdiNZb0EhpQ91J59DTrU05FvuGp1k2fLQtZAcbCaOPtWCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T23:21:00.305629Z"},"content_sha256":"af9875695dc33a312d43ce00451c9218e446eb15df0cd2618f074e806a201511","schema_version":"1.0","event_id":"sha256:af9875695dc33a312d43ce00451c9218e446eb15df0cd2618f074e806a201511"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:PICS7K44BNL54WXC4LOPZ5542B","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Sharon Hammes-Schiffer, Tao E. Li","submitted_at":"2022-12-05T14:47:38Z","abstract_excerpt":"Vibrational strong coupling (VSC) provides a novel means to modify chemical reactions and energy transfer pathways. To efficiently model chemical dynamics under VSC in the collective regime, herein a hybrid quantum mechanical/molecular mechanical (QM/MM) cavity molecular dynamics (CavMD) scheme is developed and applied to an experimentally studied chemical system. This approach can achieve linear scaling with respect to the number of molecules for a dilute solution under VSC by assuming that each QM solute molecule is surrounded by an independent MM solvent bath. Application of this approach t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.02322","kind":"arxiv","version":2},"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/2212.02322/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":"2026-07-05T05:28:48Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"1SIqfeofWg97Pq6jqGh6lo0zrsc2GrHFHSYsf0Hx7gt1Ogv6fin7wgf5h9x0oViHyR79Zd1DqWxgOUi4SFojCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T23:21:00.306035Z"},"content_sha256":"07d726c9a63c8eac32ad8f9408b108609f6eb657c3813e047b6256f0994e9e2b","schema_version":"1.0","event_id":"sha256:07d726c9a63c8eac32ad8f9408b108609f6eb657c3813e047b6256f0994e9e2b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/PICS7K44BNL54WXC4LOPZ5542B/bundle.json","state_url":"https://pith.science/pith/PICS7K44BNL54WXC4LOPZ5542B/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/PICS7K44BNL54WXC4LOPZ5542B/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":"2026-07-06T23:21:00Z","links":{"resolver":"https://pith.science/pith/PICS7K44BNL54WXC4LOPZ5542B","bundle":"https://pith.science/pith/PICS7K44BNL54WXC4LOPZ5542B/bundle.json","state":"https://pith.science/pith/PICS7K44BNL54WXC4LOPZ5542B/state.json","well_known_bundle":"https://pith.science/.well-known/pith/PICS7K44BNL54WXC4LOPZ5542B/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:PICS7K44BNL54WXC4LOPZ5542B","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":"2e28e8de8b99eb53ca54abbf5e2830357486a3b8d96b712e830bc02d0d0f1f6b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-12-05T14:47:38Z","title_canon_sha256":"40a348dc59aa3e4fbbc3d2fc05c781e9774036bf7fed864a20ed0e7b89e89268"},"schema_version":"1.0","source":{"id":"2212.02322","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.02322","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"arxiv_version","alias_value":"2212.02322v2","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.02322","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_12","alias_value":"PICS7K44BNL5","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_16","alias_value":"PICS7K44BNL54WXC","created_at":"2026-07-05T05:28:48Z"},{"alias_kind":"pith_short_8","alias_value":"PICS7K44","created_at":"2026-07-05T05:28:48Z"}],"graph_snapshots":[{"event_id":"sha256:07d726c9a63c8eac32ad8f9408b108609f6eb657c3813e047b6256f0994e9e2b","target":"graph","created_at":"2026-07-05T05:28:48Z","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/2212.02322/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Vibrational strong coupling (VSC) provides a novel means to modify chemical reactions and energy transfer pathways. To efficiently model chemical dynamics under VSC in the collective regime, herein a hybrid quantum mechanical/molecular mechanical (QM/MM) cavity molecular dynamics (CavMD) scheme is developed and applied to an experimentally studied chemical system. This approach can achieve linear scaling with respect to the number of molecules for a dilute solution under VSC by assuming that each QM solute molecule is surrounded by an independent MM solvent bath. Application of this approach t","authors_text":"Sharon Hammes-Schiffer, Tao E. Li","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-12-05T14:47:38Z","title":"QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.02322","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:af9875695dc33a312d43ce00451c9218e446eb15df0cd2618f074e806a201511","target":"record","created_at":"2026-07-05T05:28:48Z","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":"2e28e8de8b99eb53ca54abbf5e2830357486a3b8d96b712e830bc02d0d0f1f6b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-12-05T14:47:38Z","title_canon_sha256":"40a348dc59aa3e4fbbc3d2fc05c781e9774036bf7fed864a20ed0e7b89e89268"},"schema_version":"1.0","source":{"id":"2212.02322","kind":"arxiv","version":2}},"canonical_sha256":"7a052fab9c0b57de5ae2e2dcfcf7bcd0728cb60c5d5b2e4991ed9382c3d2e53c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7a052fab9c0b57de5ae2e2dcfcf7bcd0728cb60c5d5b2e4991ed9382c3d2e53c","first_computed_at":"2026-07-05T05:28:48.691279Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:28:48.691279Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"JUxSgDT5IBVz0cAa1tBQ8V1euKVXMXXthWKOp+qaW67Dodz81V3kaGrGPYDQyNvqDTyjJ7sAOE1U7u/IaC7lBQ==","signature_status":"signed_v1","signed_at":"2026-07-05T05:28:48.691679Z","signed_message":"canonical_sha256_bytes"},"source_id":"2212.02322","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:af9875695dc33a312d43ce00451c9218e446eb15df0cd2618f074e806a201511","sha256:07d726c9a63c8eac32ad8f9408b108609f6eb657c3813e047b6256f0994e9e2b"],"state_sha256":"41f11930db5b9d346b8baa601c313c01aef3b2c5464ce68366cfbf5e83cb1cd4"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"E12tGb7uhQhM5WyHw7Se08rInyXtej6Xe4+K9a21PMfg1xW2S8r5OWbPLs0Fghu/wioTTtFEkEb75jBBhtO8BA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-06T23:21:00.308078Z","bundle_sha256":"d9cc1b202500f0f0607a69d95d8471769cc02a0fe88f63aa88c8fd8b09fe85da"}}