{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:6IRXORZNE3S6YRBO4WMT6M34TO","short_pith_number":"pith:6IRXORZN","canonical_record":{"source":{"id":"1702.07797","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-02-24T22:59:05Z","cross_cats_sorted":["cond-mat.stat-mech"],"title_canon_sha256":"326b39f60caf3a95e45789c1b61b6bfd510f4835c1e1a0fe4f31e3f1da744d80","abstract_canon_sha256":"b72d50014a4b710154912bd429e92105096d555b26e2017e15c7decb334a8be8"},"schema_version":"1.0"},"canonical_sha256":"f22377472d26e5ec442ee5993f337c9bafcb98cf31d36bed4896cf8b6cde40e9","source":{"kind":"arxiv","id":"1702.07797","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1702.07797","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"arxiv_version","alias_value":"1702.07797v1","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1702.07797","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"pith_short_12","alias_value":"6IRXORZNE3S6","created_at":"2026-05-18T12:31:03Z"},{"alias_kind":"pith_short_16","alias_value":"6IRXORZNE3S6YRBO","created_at":"2026-05-18T12:31:03Z"},{"alias_kind":"pith_short_8","alias_value":"6IRXORZN","created_at":"2026-05-18T12:31:03Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:6IRXORZNE3S6YRBO4WMT6M34TO","target":"record","payload":{"canonical_record":{"source":{"id":"1702.07797","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-02-24T22:59:05Z","cross_cats_sorted":["cond-mat.stat-mech"],"title_canon_sha256":"326b39f60caf3a95e45789c1b61b6bfd510f4835c1e1a0fe4f31e3f1da744d80","abstract_canon_sha256":"b72d50014a4b710154912bd429e92105096d555b26e2017e15c7decb334a8be8"},"schema_version":"1.0"},"canonical_sha256":"f22377472d26e5ec442ee5993f337c9bafcb98cf31d36bed4896cf8b6cde40e9","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:49:57.003256Z","signature_b64":"gMsBP6jq88sqM/q2q5l1nPvfT9/0dDHehjxN6vmiy/0yW5jWegY/lvH1AQvwR4zJvo8FGy3XGwLBieZsawWKCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f22377472d26e5ec442ee5993f337c9bafcb98cf31d36bed4896cf8b6cde40e9","last_reissued_at":"2026-05-18T00:49:57.002628Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:49:57.002628Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1702.07797","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":"2026-05-18T00:49:57Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"9F0uialf0p1OhRrNIt/+pfsINQE+dz8nyDDhn4tqCJyTi+6afMooull7n/t1Hj+xwtJk2f3z0ZS8BKjDwjwiDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T14:04:15.299080Z"},"content_sha256":"a6d9ba3c5623f50609b52cb29e4c4a95b5f1cbc28aee699b72d2e18343e64444","schema_version":"1.0","event_id":"sha256:a6d9ba3c5623f50609b52cb29e4c4a95b5f1cbc28aee699b72d2e18343e64444"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:6IRXORZNE3S6YRBO4WMT6M34TO","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Quantum dynamics and spectroscopy of ab initio liquid water: the interplay of nuclear and electronic quantum effects","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.stat-mech"],"primary_cat":"physics.chem-ph","authors_text":"Ondrej Marsalek, Thomas E. Markland","submitted_at":"2017-02-24T22:59:05Z","abstract_excerpt":"Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable challenges of treating the quantum nature of both the electrons and nuclei. Exploiting our recently developed methods that provide acceleration by up to two orders of magnitude, we combine path integral simulations with on-the-fly evaluation of the electronic structure at the hybrid density functional theory level to capture the interplay between nuclear quantum effe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1702.07797","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":""},"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":"2026-05-18T00:49:57Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ECFTMGF2FJWYLehl0cTNzLePVQL17ANAJrMtsj/7FSO9lpJqsuc5blBU39iuvEs2OZXAaGKDbitzy3FaB8d5CA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T14:04:15.299453Z"},"content_sha256":"1551a97bec0a5e56acac0d5143fb46b0fd9907874fd9c29978c57444e39acb16","schema_version":"1.0","event_id":"sha256:1551a97bec0a5e56acac0d5143fb46b0fd9907874fd9c29978c57444e39acb16"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/6IRXORZNE3S6YRBO4WMT6M34TO/bundle.json","state_url":"https://pith.science/pith/6IRXORZNE3S6YRBO4WMT6M34TO/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/6IRXORZNE3S6YRBO4WMT6M34TO/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":"2026-06-23T14:04:15Z","links":{"resolver":"https://pith.science/pith/6IRXORZNE3S6YRBO4WMT6M34TO","bundle":"https://pith.science/pith/6IRXORZNE3S6YRBO4WMT6M34TO/bundle.json","state":"https://pith.science/pith/6IRXORZNE3S6YRBO4WMT6M34TO/state.json","well_known_bundle":"https://pith.science/.well-known/pith/6IRXORZNE3S6YRBO4WMT6M34TO/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:6IRXORZNE3S6YRBO4WMT6M34TO","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":"b72d50014a4b710154912bd429e92105096d555b26e2017e15c7decb334a8be8","cross_cats_sorted":["cond-mat.stat-mech"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-02-24T22:59:05Z","title_canon_sha256":"326b39f60caf3a95e45789c1b61b6bfd510f4835c1e1a0fe4f31e3f1da744d80"},"schema_version":"1.0","source":{"id":"1702.07797","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1702.07797","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"arxiv_version","alias_value":"1702.07797v1","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1702.07797","created_at":"2026-05-18T00:49:57Z"},{"alias_kind":"pith_short_12","alias_value":"6IRXORZNE3S6","created_at":"2026-05-18T12:31:03Z"},{"alias_kind":"pith_short_16","alias_value":"6IRXORZNE3S6YRBO","created_at":"2026-05-18T12:31:03Z"},{"alias_kind":"pith_short_8","alias_value":"6IRXORZN","created_at":"2026-05-18T12:31:03Z"}],"graph_snapshots":[{"event_id":"sha256:1551a97bec0a5e56acac0d5143fb46b0fd9907874fd9c29978c57444e39acb16","target":"graph","created_at":"2026-05-18T00:49:57Z","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":"Understanding the reactivity and spectroscopy of aqueous solutions at the atomistic level is crucial for the elucidation and design of chemical processes. However, the simulation of these systems requires addressing the formidable challenges of treating the quantum nature of both the electrons and nuclei. Exploiting our recently developed methods that provide acceleration by up to two orders of magnitude, we combine path integral simulations with on-the-fly evaluation of the electronic structure at the hybrid density functional theory level to capture the interplay between nuclear quantum effe","authors_text":"Ondrej Marsalek, Thomas E. Markland","cross_cats":["cond-mat.stat-mech"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-02-24T22:59:05Z","title":"Quantum dynamics and spectroscopy of ab initio liquid water: the interplay of nuclear and electronic quantum effects"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1702.07797","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:a6d9ba3c5623f50609b52cb29e4c4a95b5f1cbc28aee699b72d2e18343e64444","target":"record","created_at":"2026-05-18T00:49:57Z","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":"b72d50014a4b710154912bd429e92105096d555b26e2017e15c7decb334a8be8","cross_cats_sorted":["cond-mat.stat-mech"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-02-24T22:59:05Z","title_canon_sha256":"326b39f60caf3a95e45789c1b61b6bfd510f4835c1e1a0fe4f31e3f1da744d80"},"schema_version":"1.0","source":{"id":"1702.07797","kind":"arxiv","version":1}},"canonical_sha256":"f22377472d26e5ec442ee5993f337c9bafcb98cf31d36bed4896cf8b6cde40e9","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f22377472d26e5ec442ee5993f337c9bafcb98cf31d36bed4896cf8b6cde40e9","first_computed_at":"2026-05-18T00:49:57.002628Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:49:57.002628Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"gMsBP6jq88sqM/q2q5l1nPvfT9/0dDHehjxN6vmiy/0yW5jWegY/lvH1AQvwR4zJvo8FGy3XGwLBieZsawWKCA==","signature_status":"signed_v1","signed_at":"2026-05-18T00:49:57.003256Z","signed_message":"canonical_sha256_bytes"},"source_id":"1702.07797","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a6d9ba3c5623f50609b52cb29e4c4a95b5f1cbc28aee699b72d2e18343e64444","sha256:1551a97bec0a5e56acac0d5143fb46b0fd9907874fd9c29978c57444e39acb16"],"state_sha256":"15bd406d51c7660afa446986b7322f8f542d0bdedb3908aa97c6bd4ddbe6b16b"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"sWD5K7x2BrmgoPRrC9lwPE9JUBcmq249Vie1L0r/TqAqkLds7EnEUZY4U8VlNUf3RwjiqQGebxIA81EDzEPsBg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-23T14:04:15.301432Z","bundle_sha256":"1fe74b0deef423770d72f9353ba90a67edbb2818b5914f04a86e7af4782da5d9"}}