{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:1998:VP4NRIPWXZPGUWLN7BMW6VJW4Z","short_pith_number":"pith:VP4NRIPW","canonical_record":{"source":{"id":"physics/9806023","kind":"arxiv","version":2},"metadata":{"license":"","primary_cat":"physics.chem-ph","submitted_at":"1998-06-16T20:36:44Z","cross_cats_sorted":["physics.bio-ph"],"title_canon_sha256":"d8218ccd8a9603686454e2417a37b7a574966e814b730e89499d0b634431e659","abstract_canon_sha256":"c83020421d1049cc6e206253933c844b11dac602903e38e60a59626e77c8aff1"},"schema_version":"1.0"},"canonical_sha256":"abf8d8a1f6be5e6a596df8596f5536e67eaa62619312113610fe1cf314da8033","source":{"kind":"arxiv","id":"physics/9806023","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"physics/9806023","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"arxiv_version","alias_value":"physics/9806023v2","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.physics/9806023","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"pith_short_12","alias_value":"VP4NRIPWXZPG","created_at":"2026-05-18T12:25:49Z"},{"alias_kind":"pith_short_16","alias_value":"VP4NRIPWXZPGUWLN","created_at":"2026-05-18T12:25:49Z"},{"alias_kind":"pith_short_8","alias_value":"VP4NRIPW","created_at":"2026-05-18T12:25:49Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:1998:VP4NRIPWXZPGUWLN7BMW6VJW4Z","target":"record","payload":{"canonical_record":{"source":{"id":"physics/9806023","kind":"arxiv","version":2},"metadata":{"license":"","primary_cat":"physics.chem-ph","submitted_at":"1998-06-16T20:36:44Z","cross_cats_sorted":["physics.bio-ph"],"title_canon_sha256":"d8218ccd8a9603686454e2417a37b7a574966e814b730e89499d0b634431e659","abstract_canon_sha256":"c83020421d1049cc6e206253933c844b11dac602903e38e60a59626e77c8aff1"},"schema_version":"1.0"},"canonical_sha256":"abf8d8a1f6be5e6a596df8596f5536e67eaa62619312113610fe1cf314da8033","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:03:45.319151Z","signature_b64":"oyXKNW3Kr4wLOjWJTvjDC8JYUmH/YJ06ux35nezDuP/aaC71KDZvzEhhvIQm5bg8v1zAmJUMoyGyXqRYzPcvDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"abf8d8a1f6be5e6a596df8596f5536e67eaa62619312113610fe1cf314da8033","last_reissued_at":"2026-05-18T01:03:45.318344Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:03:45.318344Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"physics/9806023","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":"2026-05-18T01:03:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EzGbsisgVeLpn0bE4B16Sfm2aWbhvTXsG2V8FnopNHEmKEp5H3oz7v6fsye92OodFerGVFu0/uSZfTQ06jKTDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-04T09:19:22.567206Z"},"content_sha256":"5ef14935fc9f966203c57eab43058c986901ee42fa9f752564df71a4aa754fa8","schema_version":"1.0","event_id":"sha256:5ef14935fc9f966203c57eab43058c986901ee42fa9f752564df71a4aa754fa8"},{"event_type":"graph_snapshot","subject_pith_number":"pith:1998:VP4NRIPWXZPGUWLN7BMW6VJW4Z","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Molecular theories and simulation of ions and polar molecules in water","license":"","headline":"","cross_cats":["physics.bio-ph"],"primary_cat":"physics.chem-ph","authors_text":"Angel E. Garcia, Gerhard Hummer, Lawrence R. Pratt","submitted_at":"1998-06-16T20:36:44Z","abstract_excerpt":"Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify the theoretical issues. The treatment of long-ranged electrostatic interactions in simulations is discussed extensively. It is argued that the Ewald approach is an easy way to get correct hydration free energies in the thermodynamic limit from molecular calculations; and that molecular simulations with Ewald interactions and periodic boundary conditions can also be more efficient than many common alternatives. The Ew"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"physics/9806023","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":""},"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":"2026-05-18T01:03:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"NZPMTmEm5F8l3qsKCJl0oJYLxr2obrL38cYS4VB9yCNx/iamfg9CQW9qO1AN2U9TMvBWKKAm96Eu/mbNdpGAAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-04T09:19:22.567576Z"},"content_sha256":"4359543413fc66b0dfa39acca4ba19c2219063a7e6ce58343c1f8e51459f1685","schema_version":"1.0","event_id":"sha256:4359543413fc66b0dfa39acca4ba19c2219063a7e6ce58343c1f8e51459f1685"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/bundle.json","state_url":"https://pith.science/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/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":"2026-06-04T09:19:22Z","links":{"resolver":"https://pith.science/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z","bundle":"https://pith.science/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/bundle.json","state":"https://pith.science/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VP4NRIPWXZPGUWLN7BMW6VJW4Z/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:1998:VP4NRIPWXZPGUWLN7BMW6VJW4Z","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":"c83020421d1049cc6e206253933c844b11dac602903e38e60a59626e77c8aff1","cross_cats_sorted":["physics.bio-ph"],"license":"","primary_cat":"physics.chem-ph","submitted_at":"1998-06-16T20:36:44Z","title_canon_sha256":"d8218ccd8a9603686454e2417a37b7a574966e814b730e89499d0b634431e659"},"schema_version":"1.0","source":{"id":"physics/9806023","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"physics/9806023","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"arxiv_version","alias_value":"physics/9806023v2","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.physics/9806023","created_at":"2026-05-18T01:03:45Z"},{"alias_kind":"pith_short_12","alias_value":"VP4NRIPWXZPG","created_at":"2026-05-18T12:25:49Z"},{"alias_kind":"pith_short_16","alias_value":"VP4NRIPWXZPGUWLN","created_at":"2026-05-18T12:25:49Z"},{"alias_kind":"pith_short_8","alias_value":"VP4NRIPW","created_at":"2026-05-18T12:25:49Z"}],"graph_snapshots":[{"event_id":"sha256:4359543413fc66b0dfa39acca4ba19c2219063a7e6ce58343c1f8e51459f1685","target":"graph","created_at":"2026-05-18T01:03:45Z","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":"Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify the theoretical issues. The treatment of long-ranged electrostatic interactions in simulations is discussed extensively. It is argued that the Ewald approach is an easy way to get correct hydration free energies in the thermodynamic limit from molecular calculations; and that molecular simulations with Ewald interactions and periodic boundary conditions can also be more efficient than many common alternatives. The Ew","authors_text":"Angel E. Garcia, Gerhard Hummer, Lawrence R. Pratt","cross_cats":["physics.bio-ph"],"headline":"","license":"","primary_cat":"physics.chem-ph","submitted_at":"1998-06-16T20:36:44Z","title":"Molecular theories and simulation of ions and polar molecules in water"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"physics/9806023","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":"sha256:5ef14935fc9f966203c57eab43058c986901ee42fa9f752564df71a4aa754fa8","target":"record","created_at":"2026-05-18T01:03:45Z","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":"c83020421d1049cc6e206253933c844b11dac602903e38e60a59626e77c8aff1","cross_cats_sorted":["physics.bio-ph"],"license":"","primary_cat":"physics.chem-ph","submitted_at":"1998-06-16T20:36:44Z","title_canon_sha256":"d8218ccd8a9603686454e2417a37b7a574966e814b730e89499d0b634431e659"},"schema_version":"1.0","source":{"id":"physics/9806023","kind":"arxiv","version":2}},"canonical_sha256":"abf8d8a1f6be5e6a596df8596f5536e67eaa62619312113610fe1cf314da8033","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"abf8d8a1f6be5e6a596df8596f5536e67eaa62619312113610fe1cf314da8033","first_computed_at":"2026-05-18T01:03:45.318344Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:03:45.318344Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"oyXKNW3Kr4wLOjWJTvjDC8JYUmH/YJ06ux35nezDuP/aaC71KDZvzEhhvIQm5bg8v1zAmJUMoyGyXqRYzPcvDg==","signature_status":"signed_v1","signed_at":"2026-05-18T01:03:45.319151Z","signed_message":"canonical_sha256_bytes"},"source_id":"physics/9806023","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5ef14935fc9f966203c57eab43058c986901ee42fa9f752564df71a4aa754fa8","sha256:4359543413fc66b0dfa39acca4ba19c2219063a7e6ce58343c1f8e51459f1685"],"state_sha256":"76dea0e50e0470b26a0d91c110635edc8bd1d82fc79f575975751d185b7d2152"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ZaCOAMIoM4bKQkcNHBFpi/+Ywb3KeR3j26f1VQbPGtke6ztYJ/Y4PgGUd7Lm/qmsqUrNSHIQpZVlJfnJE1UfBg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-04T09:19:22.569523Z","bundle_sha256":"667be7ad376f433e3293ae05d0003f23c9bad50858e058a418ca54ffe03bf07e"}}