{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2013:TPETQF3U2VYYMTROGMOOBJN2FZ","short_pith_number":"pith:TPETQF3U","canonical_record":{"source":{"id":"1305.1743","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-05-08T08:34:33Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"bf91169476b19ed77cd03c67357f67e35ef88272d9da65cfe59410142d9b035c","abstract_canon_sha256":"d301da077502792c02ca33ae8f0b5aac110fc3bc33aa3f2690669aa8dff2062a"},"schema_version":"1.0"},"canonical_sha256":"9bc9381774d571864e2e331ce0a5ba2e5509926d0f6eb56e71b248e3fab878f2","source":{"kind":"arxiv","id":"1305.1743","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1305.1743","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"arxiv_version","alias_value":"1305.1743v1","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1305.1743","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"pith_short_12","alias_value":"TPETQF3U2VYY","created_at":"2026-05-18T12:28:02Z"},{"alias_kind":"pith_short_16","alias_value":"TPETQF3U2VYYMTRO","created_at":"2026-05-18T12:28:02Z"},{"alias_kind":"pith_short_8","alias_value":"TPETQF3U","created_at":"2026-05-18T12:28:02Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2013:TPETQF3U2VYYMTROGMOOBJN2FZ","target":"record","payload":{"canonical_record":{"source":{"id":"1305.1743","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-05-08T08:34:33Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"bf91169476b19ed77cd03c67357f67e35ef88272d9da65cfe59410142d9b035c","abstract_canon_sha256":"d301da077502792c02ca33ae8f0b5aac110fc3bc33aa3f2690669aa8dff2062a"},"schema_version":"1.0"},"canonical_sha256":"9bc9381774d571864e2e331ce0a5ba2e5509926d0f6eb56e71b248e3fab878f2","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:08:07.237885Z","signature_b64":"w0WDWW1/ivxHaV213YPl3QEQYOc65gYBMnH/LwaHv2hpN4/W7ddDIzaeTaoNZDkq/yafGUC7l/INBo1KbVTyBA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"9bc9381774d571864e2e331ce0a5ba2e5509926d0f6eb56e71b248e3fab878f2","last_reissued_at":"2026-05-18T03:08:07.237417Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:08:07.237417Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1305.1743","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":"2026-05-18T03:08:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"fi+DYPONHmhJJxtb8FTeYuEmoQ4EzVQt0x/51SNDOLR/21rLdIp2pk8cf1A2PXMjGvMxLSADt/fFe9VtZFL5CA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-02T02:02:12.235466Z"},"content_sha256":"50c4467e46a0c9c4db407833dbd9f136c30c051279ca7cd544bd5e4f52da8a78","schema_version":"1.0","event_id":"sha256:50c4467e46a0c9c4db407833dbd9f136c30c051279ca7cd544bd5e4f52da8a78"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2013:TPETQF3U2VYYMTROGMOOBJN2FZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Grand-Canonical Quantized Liquid Density-Functional Theory in a Car-Parrinello Implementation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Christian F. J. Walther, Serguei Patchkovskii, Thomas Heine","submitted_at":"2013-05-08T08:34:33Z","abstract_excerpt":"Quantized Liquid Density-Functional Theory [Phys. Rev. E 2009, 80, 031603], a method developed to assess the adsorption of gas molecules in porous nanomaterials, is reformulated within the grand canonical ensemble. With the grand potential it is possible to compare directly external and internal thermodynamic  quantities. In our new implementation, the grand potential is minimized utilizing the  Car-Parrinello approach and gives, in particular for low temperature simulations, a significant  computational advantage over the original canonical approaches. The method is validated against original"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1305.1743","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":"2026-05-18T03:08:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"U5tBqUd/VE/XmiVirV72qH75lhLVgSayqfhOYvmRMLtOcFbpMVwCNiS4kznrc/GQ7KwDA76AAsj6A6dTRYa7AA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-02T02:02:12.235809Z"},"content_sha256":"6297afe05e4d3251d87e0c107d862ac4c78c3c67815c4c7096f744e07ec2c39d","schema_version":"1.0","event_id":"sha256:6297afe05e4d3251d87e0c107d862ac4c78c3c67815c4c7096f744e07ec2c39d"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/bundle.json","state_url":"https://pith.science/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/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":"2026-06-02T02:02:12Z","links":{"resolver":"https://pith.science/pith/TPETQF3U2VYYMTROGMOOBJN2FZ","bundle":"https://pith.science/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/bundle.json","state":"https://pith.science/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/TPETQF3U2VYYMTROGMOOBJN2FZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:TPETQF3U2VYYMTROGMOOBJN2FZ","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":"d301da077502792c02ca33ae8f0b5aac110fc3bc33aa3f2690669aa8dff2062a","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-05-08T08:34:33Z","title_canon_sha256":"bf91169476b19ed77cd03c67357f67e35ef88272d9da65cfe59410142d9b035c"},"schema_version":"1.0","source":{"id":"1305.1743","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1305.1743","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"arxiv_version","alias_value":"1305.1743v1","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1305.1743","created_at":"2026-05-18T03:08:07Z"},{"alias_kind":"pith_short_12","alias_value":"TPETQF3U2VYY","created_at":"2026-05-18T12:28:02Z"},{"alias_kind":"pith_short_16","alias_value":"TPETQF3U2VYYMTRO","created_at":"2026-05-18T12:28:02Z"},{"alias_kind":"pith_short_8","alias_value":"TPETQF3U","created_at":"2026-05-18T12:28:02Z"}],"graph_snapshots":[{"event_id":"sha256:6297afe05e4d3251d87e0c107d862ac4c78c3c67815c4c7096f744e07ec2c39d","target":"graph","created_at":"2026-05-18T03:08:07Z","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":"Quantized Liquid Density-Functional Theory [Phys. Rev. E 2009, 80, 031603], a method developed to assess the adsorption of gas molecules in porous nanomaterials, is reformulated within the grand canonical ensemble. With the grand potential it is possible to compare directly external and internal thermodynamic  quantities. In our new implementation, the grand potential is minimized utilizing the  Car-Parrinello approach and gives, in particular for low temperature simulations, a significant  computational advantage over the original canonical approaches. The method is validated against original","authors_text":"Christian F. J. Walther, Serguei Patchkovskii, Thomas Heine","cross_cats":["physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-05-08T08:34:33Z","title":"Grand-Canonical Quantized Liquid Density-Functional Theory in a Car-Parrinello Implementation"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1305.1743","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":"sha256:50c4467e46a0c9c4db407833dbd9f136c30c051279ca7cd544bd5e4f52da8a78","target":"record","created_at":"2026-05-18T03:08:07Z","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":"d301da077502792c02ca33ae8f0b5aac110fc3bc33aa3f2690669aa8dff2062a","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2013-05-08T08:34:33Z","title_canon_sha256":"bf91169476b19ed77cd03c67357f67e35ef88272d9da65cfe59410142d9b035c"},"schema_version":"1.0","source":{"id":"1305.1743","kind":"arxiv","version":1}},"canonical_sha256":"9bc9381774d571864e2e331ce0a5ba2e5509926d0f6eb56e71b248e3fab878f2","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"9bc9381774d571864e2e331ce0a5ba2e5509926d0f6eb56e71b248e3fab878f2","first_computed_at":"2026-05-18T03:08:07.237417Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:08:07.237417Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"w0WDWW1/ivxHaV213YPl3QEQYOc65gYBMnH/LwaHv2hpN4/W7ddDIzaeTaoNZDkq/yafGUC7l/INBo1KbVTyBA==","signature_status":"signed_v1","signed_at":"2026-05-18T03:08:07.237885Z","signed_message":"canonical_sha256_bytes"},"source_id":"1305.1743","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:50c4467e46a0c9c4db407833dbd9f136c30c051279ca7cd544bd5e4f52da8a78","sha256:6297afe05e4d3251d87e0c107d862ac4c78c3c67815c4c7096f744e07ec2c39d"],"state_sha256":"fb21f0a14e894a990ddc5376a3a33d2a42a756d096217d5b35d3c4d9aeb461bd"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"OasT+L6dFoDsIn9Xp8OvLRdSfG7t0QP7856m4sHMV6k6LJSxSV+2CV8isJdRVN4SM1U72tCSZedZGxaAOlBQCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-02T02:02:12.237774Z","bundle_sha256":"5ebac9e3eaa94243d89708e18a90f883757e753d49cf098de05767d6b0aaf3fe"}}