{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:DSQMASLOLFCLYFR7IXDM3BUMDM","short_pith_number":"pith:DSQMASLO","canonical_record":{"source":{"id":"1707.01385","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-07-05T13:28:32Z","cross_cats_sorted":["cond-mat.stat-mech","physics.comp-ph"],"title_canon_sha256":"ebd218a93b67b13b9897cf74934571a54f562b43520592f6419b8876861d84c1","abstract_canon_sha256":"aff484478faca426b36ec723f7ede49ac3bd41e23cdb7806f9aa9691cc12a16d"},"schema_version":"1.0"},"canonical_sha256":"1ca0c0496e5944bc163f45c6cd868c1b0067c08c671b87c67605a2346e928bb6","source":{"kind":"arxiv","id":"1707.01385","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1707.01385","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"arxiv_version","alias_value":"1707.01385v1","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1707.01385","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"pith_short_12","alias_value":"DSQMASLOLFCL","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_16","alias_value":"DSQMASLOLFCLYFR7","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_8","alias_value":"DSQMASLO","created_at":"2026-05-18T12:31:12Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:DSQMASLOLFCLYFR7IXDM3BUMDM","target":"record","payload":{"canonical_record":{"source":{"id":"1707.01385","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-07-05T13:28:32Z","cross_cats_sorted":["cond-mat.stat-mech","physics.comp-ph"],"title_canon_sha256":"ebd218a93b67b13b9897cf74934571a54f562b43520592f6419b8876861d84c1","abstract_canon_sha256":"aff484478faca426b36ec723f7ede49ac3bd41e23cdb7806f9aa9691cc12a16d"},"schema_version":"1.0"},"canonical_sha256":"1ca0c0496e5944bc163f45c6cd868c1b0067c08c671b87c67605a2346e928bb6","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:33:16.702176Z","signature_b64":"jRTP/ynD+7nPwAjMu/a4AJusES0/9JSlpzT9jh+SXjPxR8Vtfw6qriklSLuQkVUBw3tvb2Ng2CpRMeUHgqOZAw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1ca0c0496e5944bc163f45c6cd868c1b0067c08c671b87c67605a2346e928bb6","last_reissued_at":"2026-05-18T00:33:16.701620Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:33:16.701620Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1707.01385","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":"2026-05-18T00:33:16Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0j06tzGePmTnP3NFGIL8k1JuetCHMZFo+UtxrFGF40UNPy9XWOhSm4W3/mSenR1R0cmPXC+y3LPaT8vDK2gdBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-09T23:02:02.159724Z"},"content_sha256":"83825a11dbbfaaa03fa87da0a06ec76fb2c8d115ef58a852e90ba0d8846ac7af","schema_version":"1.0","event_id":"sha256:83825a11dbbfaaa03fa87da0a06ec76fb2c8d115ef58a852e90ba0d8846ac7af"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:DSQMASLOLFCLYFR7IXDM3BUMDM","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Efficient molecular density functional theory using generalized spherical harmonics expansions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.stat-mech","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Daniel Borgis, Luc Belloni, Lu Ding, Maximilien Levesque","submitted_at":"2017-07-05T13:28:32Z","abstract_excerpt":"We show that generalized spherical harmonics are well suited for representing the space and orientation molecular density in the resolution of the molecular density functional theory. We consider the common system made of a rigid solute of arbitrary complexity immersed in a molecular solvent, both represented by molecules with interacting atomic sites and classical force fields. The molecular solvent density $\\rho(\\mathbf{r},\\mathbf{\\Omega})$ around the solute is a function of the position $\\mathbf{r}\\equiv(x,y,z)$ and of the three Euler angles $\\mathbf{\\Omega}\\equiv(\\theta,\\phi,\\psi)$ describ"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1707.01385","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":"2026-05-18T00:33:16Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BV7Wl/eJCzqV9cROMwM/GJdpGA1i6TCrUFO9cBFsAaNMrV2bhErFM2ya1HOmhStopCzlnXVaTS8WHlhUHM3PAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-09T23:02:02.160496Z"},"content_sha256":"67a38cf966038d135d66dedd9e94beb1bce5fb959706652fdbc69dcf3e996a52","schema_version":"1.0","event_id":"sha256:67a38cf966038d135d66dedd9e94beb1bce5fb959706652fdbc69dcf3e996a52"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/bundle.json","state_url":"https://pith.science/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/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":"2026-06-09T23:02:02Z","links":{"resolver":"https://pith.science/pith/DSQMASLOLFCLYFR7IXDM3BUMDM","bundle":"https://pith.science/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/bundle.json","state":"https://pith.science/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/state.json","well_known_bundle":"https://pith.science/.well-known/pith/DSQMASLOLFCLYFR7IXDM3BUMDM/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:DSQMASLOLFCLYFR7IXDM3BUMDM","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":"aff484478faca426b36ec723f7ede49ac3bd41e23cdb7806f9aa9691cc12a16d","cross_cats_sorted":["cond-mat.stat-mech","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-07-05T13:28:32Z","title_canon_sha256":"ebd218a93b67b13b9897cf74934571a54f562b43520592f6419b8876861d84c1"},"schema_version":"1.0","source":{"id":"1707.01385","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1707.01385","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"arxiv_version","alias_value":"1707.01385v1","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1707.01385","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"pith_short_12","alias_value":"DSQMASLOLFCL","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_16","alias_value":"DSQMASLOLFCLYFR7","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_8","alias_value":"DSQMASLO","created_at":"2026-05-18T12:31:12Z"}],"graph_snapshots":[{"event_id":"sha256:67a38cf966038d135d66dedd9e94beb1bce5fb959706652fdbc69dcf3e996a52","target":"graph","created_at":"2026-05-18T00:33:16Z","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":"We show that generalized spherical harmonics are well suited for representing the space and orientation molecular density in the resolution of the molecular density functional theory. We consider the common system made of a rigid solute of arbitrary complexity immersed in a molecular solvent, both represented by molecules with interacting atomic sites and classical force fields. The molecular solvent density $\\rho(\\mathbf{r},\\mathbf{\\Omega})$ around the solute is a function of the position $\\mathbf{r}\\equiv(x,y,z)$ and of the three Euler angles $\\mathbf{\\Omega}\\equiv(\\theta,\\phi,\\psi)$ describ","authors_text":"Daniel Borgis, Luc Belloni, Lu Ding, Maximilien Levesque","cross_cats":["cond-mat.stat-mech","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-07-05T13:28:32Z","title":"Efficient molecular density functional theory using generalized spherical harmonics expansions"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1707.01385","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":"sha256:83825a11dbbfaaa03fa87da0a06ec76fb2c8d115ef58a852e90ba0d8846ac7af","target":"record","created_at":"2026-05-18T00:33:16Z","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":"aff484478faca426b36ec723f7ede49ac3bd41e23cdb7806f9aa9691cc12a16d","cross_cats_sorted":["cond-mat.stat-mech","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-07-05T13:28:32Z","title_canon_sha256":"ebd218a93b67b13b9897cf74934571a54f562b43520592f6419b8876861d84c1"},"schema_version":"1.0","source":{"id":"1707.01385","kind":"arxiv","version":1}},"canonical_sha256":"1ca0c0496e5944bc163f45c6cd868c1b0067c08c671b87c67605a2346e928bb6","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"1ca0c0496e5944bc163f45c6cd868c1b0067c08c671b87c67605a2346e928bb6","first_computed_at":"2026-05-18T00:33:16.701620Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:33:16.701620Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"jRTP/ynD+7nPwAjMu/a4AJusES0/9JSlpzT9jh+SXjPxR8Vtfw6qriklSLuQkVUBw3tvb2Ng2CpRMeUHgqOZAw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:33:16.702176Z","signed_message":"canonical_sha256_bytes"},"source_id":"1707.01385","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:83825a11dbbfaaa03fa87da0a06ec76fb2c8d115ef58a852e90ba0d8846ac7af","sha256:67a38cf966038d135d66dedd9e94beb1bce5fb959706652fdbc69dcf3e996a52"],"state_sha256":"6c0fcd8dbd5255b26bff3264d80547a38ae386909be45139ccfc540c063f00d3"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6jTFQhu9b9bMpQEAzr5W+kI+XKjPoWETozawn5AyHD9pns1EI1vqSZ6by0756gVxbMAabM7HXq1IY5vlEGAIAw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-09T23:02:02.164981Z","bundle_sha256":"acde03194b87c15255c991c69bff1a3fe90209ee20cf37e497f4a63d71e69118"}}