{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:THUJH3RSKTXMC33APG7QJZCJWS","short_pith_number":"pith:THUJH3RS","canonical_record":{"source":{"id":"2512.24816","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-31T12:04:38Z","cross_cats_sorted":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"af82af789ea937973bf827aedae7d210c6e4d1852c11240e626119f64d85cf9d","abstract_canon_sha256":"74a4e628547e744521dd4108166257176e41efac7ebdf7fef3ad499579e474a8"},"schema_version":"1.0"},"canonical_sha256":"99e893ee3254eec16f6079bf04e449b4aaf865ff30f0b124e3b0891587230e26","source":{"kind":"arxiv","id":"2512.24816","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2512.24816","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"arxiv_version","alias_value":"2512.24816v2","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2512.24816","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_12","alias_value":"THUJH3RSKTXM","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_16","alias_value":"THUJH3RSKTXMC33A","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_8","alias_value":"THUJH3RS","created_at":"2026-05-29T02:05:38Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:THUJH3RSKTXMC33APG7QJZCJWS","target":"record","payload":{"canonical_record":{"source":{"id":"2512.24816","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-31T12:04:38Z","cross_cats_sorted":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"af82af789ea937973bf827aedae7d210c6e4d1852c11240e626119f64d85cf9d","abstract_canon_sha256":"74a4e628547e744521dd4108166257176e41efac7ebdf7fef3ad499579e474a8"},"schema_version":"1.0"},"canonical_sha256":"99e893ee3254eec16f6079bf04e449b4aaf865ff30f0b124e3b0891587230e26","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-29T02:05:38.897150Z","signature_b64":"HJ1M6EV8RJslVKpm7Dkh4MD789KPjmfQMoJg1B3qXLGi1wSnD41wbdrKsb7IiOJP+H2T3dXTy/h19nhqefDaBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"99e893ee3254eec16f6079bf04e449b4aaf865ff30f0b124e3b0891587230e26","last_reissued_at":"2026-05-29T02:05:38.896409Z","signature_status":"signed_v1","first_computed_at":"2026-05-29T02:05:38.896409Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2512.24816","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":"2026-05-29T02:05:38Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bWziKUtumtnjX8fyAUG/KRt6F5dcMhSD6j+4gwmUd8lXtAkyAXqAurz+lfKtAKoQRXiWO7qODUxajdNaDgB7AQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T23:51:28.983570Z"},"content_sha256":"c03f200592715f8de678ce7bdcc92c12ddbc31b558b130e353695a4018c98ee6","schema_version":"1.0","event_id":"sha256:c03f200592715f8de678ce7bdcc92c12ddbc31b558b130e353695a4018c98ee6"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:THUJH3RSKTXMC33APG7QJZCJWS","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Ambroise van Roekeghem, Eric Woillez, Quentin Jacquet, Yuan-Chi Yang","submitted_at":"2025-12-31T12:04:38Z","abstract_excerpt":"We present a generalizable scale-bridging computational framework that enables predictive modeling of insertion-type electrode materials from atomistic to device scales. Applied to sodium manganese hexacyanoferrate, a promising cathode material for grid-scale sodium-ion batteries, our methodology employs an active-learning strategy to train a Moment Tensor Potential through iterative hybrid grand-canonical Monte Carlo--molecular dynamics sampling, robustly capturing configuration spaces at all sodiation levels. The resulting machine learning interatomic potential accurately reproduces experime"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2512.24816","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/2512.24816/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":"2026-05-29T02:05:38Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"YGZnGCIfzjstSwuSd8s+ImlylaWVn+m2VaRJ9QZMqEHJzYi6Ji7Hkgma9oaXmUtMiGukZsZPEqYx5BupO+dfBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T23:51:28.984145Z"},"content_sha256":"3277e3593620b519290302f4f670813ea04e75d074d92bfeeb0a88291f6ae637","schema_version":"1.0","event_id":"sha256:3277e3593620b519290302f4f670813ea04e75d074d92bfeeb0a88291f6ae637"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/THUJH3RSKTXMC33APG7QJZCJWS/bundle.json","state_url":"https://pith.science/pith/THUJH3RSKTXMC33APG7QJZCJWS/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/THUJH3RSKTXMC33APG7QJZCJWS/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":"2026-05-30T23:51:28Z","links":{"resolver":"https://pith.science/pith/THUJH3RSKTXMC33APG7QJZCJWS","bundle":"https://pith.science/pith/THUJH3RSKTXMC33APG7QJZCJWS/bundle.json","state":"https://pith.science/pith/THUJH3RSKTXMC33APG7QJZCJWS/state.json","well_known_bundle":"https://pith.science/.well-known/pith/THUJH3RSKTXMC33APG7QJZCJWS/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:THUJH3RSKTXMC33APG7QJZCJWS","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":"74a4e628547e744521dd4108166257176e41efac7ebdf7fef3ad499579e474a8","cross_cats_sorted":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-31T12:04:38Z","title_canon_sha256":"af82af789ea937973bf827aedae7d210c6e4d1852c11240e626119f64d85cf9d"},"schema_version":"1.0","source":{"id":"2512.24816","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2512.24816","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"arxiv_version","alias_value":"2512.24816v2","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2512.24816","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_12","alias_value":"THUJH3RSKTXM","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_16","alias_value":"THUJH3RSKTXMC33A","created_at":"2026-05-29T02:05:38Z"},{"alias_kind":"pith_short_8","alias_value":"THUJH3RS","created_at":"2026-05-29T02:05:38Z"}],"graph_snapshots":[{"event_id":"sha256:3277e3593620b519290302f4f670813ea04e75d074d92bfeeb0a88291f6ae637","target":"graph","created_at":"2026-05-29T02:05:38Z","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/2512.24816/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We present a generalizable scale-bridging computational framework that enables predictive modeling of insertion-type electrode materials from atomistic to device scales. Applied to sodium manganese hexacyanoferrate, a promising cathode material for grid-scale sodium-ion batteries, our methodology employs an active-learning strategy to train a Moment Tensor Potential through iterative hybrid grand-canonical Monte Carlo--molecular dynamics sampling, robustly capturing configuration spaces at all sodiation levels. The resulting machine learning interatomic potential accurately reproduces experime","authors_text":"Ambroise van Roekeghem, Eric Woillez, Quentin Jacquet, Yuan-Chi Yang","cross_cats":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-31T12:04:38Z","title":"Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2512.24816","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:c03f200592715f8de678ce7bdcc92c12ddbc31b558b130e353695a4018c98ee6","target":"record","created_at":"2026-05-29T02:05:38Z","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":"74a4e628547e744521dd4108166257176e41efac7ebdf7fef3ad499579e474a8","cross_cats_sorted":["physics.app-ph","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-31T12:04:38Z","title_canon_sha256":"af82af789ea937973bf827aedae7d210c6e4d1852c11240e626119f64d85cf9d"},"schema_version":"1.0","source":{"id":"2512.24816","kind":"arxiv","version":2}},"canonical_sha256":"99e893ee3254eec16f6079bf04e449b4aaf865ff30f0b124e3b0891587230e26","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"99e893ee3254eec16f6079bf04e449b4aaf865ff30f0b124e3b0891587230e26","first_computed_at":"2026-05-29T02:05:38.896409Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-29T02:05:38.896409Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"HJ1M6EV8RJslVKpm7Dkh4MD789KPjmfQMoJg1B3qXLGi1wSnD41wbdrKsb7IiOJP+H2T3dXTy/h19nhqefDaBw==","signature_status":"signed_v1","signed_at":"2026-05-29T02:05:38.897150Z","signed_message":"canonical_sha256_bytes"},"source_id":"2512.24816","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:c03f200592715f8de678ce7bdcc92c12ddbc31b558b130e353695a4018c98ee6","sha256:3277e3593620b519290302f4f670813ea04e75d074d92bfeeb0a88291f6ae637"],"state_sha256":"4a210bccf8fe89dccaf5891729b6ef91756e0d95cdc229757fd4183f0d2b1ddc"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"LlYmaLk0wALG7ZUkrMLSk1OO5Cvcu2xP1lOiTKeKv+GYM/YHtPaa+yHyeSfoPRyfqgz2SZxiuZQv1X+20lqeAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-30T23:51:28.986908Z","bundle_sha256":"5e5b25cdf0173719041ca18e41dd9558dfd005b4b9423e5d61ecfeff0347edf0"}}