{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:KALN4GQKTXBUQIWNJHSNFJDOOJ","short_pith_number":"pith:KALN4GQK","canonical_record":{"source":{"id":"2212.10385","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-12-20T16:10:02Z","cross_cats_sorted":[],"title_canon_sha256":"633fdc744b7039cfb9b73938db76ab2165c0f3cd89f06ab9103875c4430075a5","abstract_canon_sha256":"8b7f31063828b5ae98513357179dc117e5589d273a10ba4c5d7ad34f5712b67e"},"schema_version":"1.0"},"canonical_sha256":"5016de1a0a9dc34822cd49e4d2a46e724ca1ff30fa95cc3bcf8f5d3232dbc40b","source":{"kind":"arxiv","id":"2212.10385","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.10385","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"arxiv_version","alias_value":"2212.10385v2","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.10385","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_12","alias_value":"KALN4GQKTXBU","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_16","alias_value":"KALN4GQKTXBUQIWN","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_8","alias_value":"KALN4GQK","created_at":"2026-07-05T05:32:02Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:KALN4GQKTXBUQIWNJHSNFJDOOJ","target":"record","payload":{"canonical_record":{"source":{"id":"2212.10385","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-12-20T16:10:02Z","cross_cats_sorted":[],"title_canon_sha256":"633fdc744b7039cfb9b73938db76ab2165c0f3cd89f06ab9103875c4430075a5","abstract_canon_sha256":"8b7f31063828b5ae98513357179dc117e5589d273a10ba4c5d7ad34f5712b67e"},"schema_version":"1.0"},"canonical_sha256":"5016de1a0a9dc34822cd49e4d2a46e724ca1ff30fa95cc3bcf8f5d3232dbc40b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:32:02.215751Z","signature_b64":"IH/h9lfInBZm85KzTzntoxKHIMNIPQE8I8j8fi83tyEH+ufFs4sLB8mkiVZzpMI6HlfmK8LOq0FAiUC0PD0DBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"5016de1a0a9dc34822cd49e4d2a46e724ca1ff30fa95cc3bcf8f5d3232dbc40b","last_reissued_at":"2026-07-05T05:32:02.215238Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:32:02.215238Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2212.10385","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":"2026-07-05T05:32:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"LIzw8LSYByGmohklH8KTkC7kYZ4nH+tKafAZIUT86SKlpA7eRUozyoLkA7HKN51fhTbdI7aiF3M0hplsM0VIAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-27T02:43:35.977677Z"},"content_sha256":"7f06015ca43213297fd3afcd04a8538e47fd15daeb3c501c92669f70a005b3cc","schema_version":"1.0","event_id":"sha256:7f06015ca43213297fd3afcd04a8538e47fd15daeb3c501c92669f70a005b3cc"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:KALN4GQKTXBUQIWNJHSNFJDOOJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Axel Forslund, Blazej Grabowski, Jong Hyun Jung, Prashanth Srinivasan","submitted_at":"2022-12-20T16:10:02Z","abstract_excerpt":"Accurate prediction of thermodynamic properties requires an extremely accurate representation of the free energy surface. Requirements are twofold -- first, the inclusion of the relevant finite-temperature mechanisms, and second, a dense volume-temperature grid on which the calculations are performed. A systematic workflow for such calculations requires computational efficiency and reliability, and has not been available within an ab initio framework so far. Here, we elucidate such a framework involving direct upsampling, thermodynamic integration and machine-learning potentials, allowing us t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.10385","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/2212.10385/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":"2026-07-05T05:32:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Eq7C2ZUFblp5Sr80Q2b5ZXdbAokfdEpj1qihLugk3Kp78NBQDBf/zP23cywgK6g/yUXSWZl6OPFqiZHy4tm0Cw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-27T02:43:35.978048Z"},"content_sha256":"ea08cbb1c40093e74aadd59ad2111823fdd6d23fa3445e2c7d93fa625924d2d0","schema_version":"1.0","event_id":"sha256:ea08cbb1c40093e74aadd59ad2111823fdd6d23fa3445e2c7d93fa625924d2d0"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/bundle.json","state_url":"https://pith.science/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/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":"2026-07-27T02:43:35Z","links":{"resolver":"https://pith.science/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ","bundle":"https://pith.science/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/bundle.json","state":"https://pith.science/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/KALN4GQKTXBUQIWNJHSNFJDOOJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:KALN4GQKTXBUQIWNJHSNFJDOOJ","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":"8b7f31063828b5ae98513357179dc117e5589d273a10ba4c5d7ad34f5712b67e","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-12-20T16:10:02Z","title_canon_sha256":"633fdc744b7039cfb9b73938db76ab2165c0f3cd89f06ab9103875c4430075a5"},"schema_version":"1.0","source":{"id":"2212.10385","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.10385","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"arxiv_version","alias_value":"2212.10385v2","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.10385","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_12","alias_value":"KALN4GQKTXBU","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_16","alias_value":"KALN4GQKTXBUQIWN","created_at":"2026-07-05T05:32:02Z"},{"alias_kind":"pith_short_8","alias_value":"KALN4GQK","created_at":"2026-07-05T05:32:02Z"}],"graph_snapshots":[{"event_id":"sha256:ea08cbb1c40093e74aadd59ad2111823fdd6d23fa3445e2c7d93fa625924d2d0","target":"graph","created_at":"2026-07-05T05:32:02Z","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/2212.10385/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Accurate prediction of thermodynamic properties requires an extremely accurate representation of the free energy surface. Requirements are twofold -- first, the inclusion of the relevant finite-temperature mechanisms, and second, a dense volume-temperature grid on which the calculations are performed. A systematic workflow for such calculations requires computational efficiency and reliability, and has not been available within an ab initio framework so far. Here, we elucidate such a framework involving direct upsampling, thermodynamic integration and machine-learning potentials, allowing us t","authors_text":"Axel Forslund, Blazej Grabowski, Jong Hyun Jung, Prashanth Srinivasan","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-12-20T16:10:02Z","title":"High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.10385","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":"sha256:7f06015ca43213297fd3afcd04a8538e47fd15daeb3c501c92669f70a005b3cc","target":"record","created_at":"2026-07-05T05:32:02Z","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":"8b7f31063828b5ae98513357179dc117e5589d273a10ba4c5d7ad34f5712b67e","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-12-20T16:10:02Z","title_canon_sha256":"633fdc744b7039cfb9b73938db76ab2165c0f3cd89f06ab9103875c4430075a5"},"schema_version":"1.0","source":{"id":"2212.10385","kind":"arxiv","version":2}},"canonical_sha256":"5016de1a0a9dc34822cd49e4d2a46e724ca1ff30fa95cc3bcf8f5d3232dbc40b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"5016de1a0a9dc34822cd49e4d2a46e724ca1ff30fa95cc3bcf8f5d3232dbc40b","first_computed_at":"2026-07-05T05:32:02.215238Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:32:02.215238Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"IH/h9lfInBZm85KzTzntoxKHIMNIPQE8I8j8fi83tyEH+ufFs4sLB8mkiVZzpMI6HlfmK8LOq0FAiUC0PD0DBQ==","signature_status":"signed_v1","signed_at":"2026-07-05T05:32:02.215751Z","signed_message":"canonical_sha256_bytes"},"source_id":"2212.10385","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7f06015ca43213297fd3afcd04a8538e47fd15daeb3c501c92669f70a005b3cc","sha256:ea08cbb1c40093e74aadd59ad2111823fdd6d23fa3445e2c7d93fa625924d2d0"],"state_sha256":"aaae4085c9be13f19b47bfac4b9aa525cd733ba78cfe38dcae458d5910b98764"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"chJZ4BF1UqKARKe7LMcIudAB+vIzjbu2u6pSoVdoIUKqP9xA75FKRWzeCOowy1QgxIu9AK3iTexkNAn3+qvYDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-27T02:43:35.980188Z","bundle_sha256":"241c9cf65f22add477c2a1bc0172a1a7b1b238c56d158ca97fb293a7db3e9434"}}