{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:F7OOKAATSVLTZZ6W72M4CKBOBR","short_pith_number":"pith:F7OOKAAT","canonical_record":{"source":{"id":"2607.17978","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-20T14:13:35Z","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"title_canon_sha256":"d9824219956e263a510d1d9a266e9e48d85fa0955d3164abca4ccb838d1a14c0","abstract_canon_sha256":"8b7203869c5b4ba131b1f3338898a329b951c2a124b96fcf6d1fa0c698d7a143"},"schema_version":"1.0"},"canonical_sha256":"2fdce5001395573ce7d6fe99c1282e0c7bff9c4ddc22461f338ee7bd4cdae3df","source":{"kind":"arxiv","id":"2607.17978","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.17978","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"arxiv_version","alias_value":"2607.17978v1","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.17978","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_12","alias_value":"F7OOKAATSVLT","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_16","alias_value":"F7OOKAATSVLTZZ6W","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_8","alias_value":"F7OOKAAT","created_at":"2026-07-21T02:22:10Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:F7OOKAATSVLTZZ6W72M4CKBOBR","target":"record","payload":{"canonical_record":{"source":{"id":"2607.17978","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-20T14:13:35Z","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"title_canon_sha256":"d9824219956e263a510d1d9a266e9e48d85fa0955d3164abca4ccb838d1a14c0","abstract_canon_sha256":"8b7203869c5b4ba131b1f3338898a329b951c2a124b96fcf6d1fa0c698d7a143"},"schema_version":"1.0"},"canonical_sha256":"2fdce5001395573ce7d6fe99c1282e0c7bff9c4ddc22461f338ee7bd4cdae3df","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-21T02:22:10.167571Z","signature_b64":"2jYfUl63eNrGCjY105kGQTCgDVQWDtnVICkfIMsG2sLnBviSrRqm2es34FCT06eZhzfkIxe8fMuxqmT7Oy/dDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"2fdce5001395573ce7d6fe99c1282e0c7bff9c4ddc22461f338ee7bd4cdae3df","last_reissued_at":"2026-07-21T02:22:10.166739Z","signature_status":"signed_v1","first_computed_at":"2026-07-21T02:22:10.166739Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2607.17978","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":"2026-07-21T02:22:10Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8ML+rUl9UTSUEDEBizhDcACwCDeJvKHt/L+i6MBHaN18fMOhogijsu6izNb6fcfdi03l0s1kdS+dYyokNUwLBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-15T08:08:54.754848Z"},"content_sha256":"e60d9fddc68319979d5d8ed755da919b9b949713970b74263f81660c76fe0ad1","schema_version":"1.0","event_id":"sha256:e60d9fddc68319979d5d8ed755da919b9b949713970b74263f81660c76fe0ad1"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:F7OOKAATSVLTZZ6W72M4CKBOBR","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials","license":"http://creativecommons.org/licenses/by-sa/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Alea Miako Liebetrau, Alexander L. M. Knoll, Emir Kocer, Gunnar Schmitz, Henry Wang, Jonas A. Finkler, J\\\"org Behler, K. Nikolas Lausch, Marco Eckhoff, Moritz Gubler, Moritz R. Sch\\\"afer, Redouan El Haouari, Richard Springborn","submitted_at":"2026-07-20T14:13:35Z","abstract_excerpt":"We present RuNNer 2.0, the \"Ruhr University Neural Network energy representation\", a highly optimized software suite for training and evaluating high-dimensional neural network potentials (HDNNPs) of the second, third, and fourth generation. Long-range electrostatics and charge equilibration (QEq) for the description of non-local charge transfer in fourth-generation (4G) HDNNPs are accelerated by quasi-linear-scaling plane-wave methods, reducing QEq computational complexity from $\\mathcal{O}(N^3)$ to $\\mathcal{O}(N\\log^2 N)$ such that linear or quasi-linear scaling is achieved across all HDNNP"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.17978","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2607.17978/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":"2026-07-21T02:22:10Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"IH4Bg/f3G+/3hxduF9KWbSQFnHjfIfRzAqqM7PwRBmltp3P9wagpIeIpN6mRHr7P5HncY0B9J/wkPWL9hN/eBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-15T08:08:54.755350Z"},"content_sha256":"512c9c66a72d4a012e838d5bfd05980a3b10093369fb95665690ab3e818a0844","schema_version":"1.0","event_id":"sha256:512c9c66a72d4a012e838d5bfd05980a3b10093369fb95665690ab3e818a0844"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/bundle.json","state_url":"https://pith.science/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/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":"2026-08-15T08:08:54Z","links":{"resolver":"https://pith.science/pith/F7OOKAATSVLTZZ6W72M4CKBOBR","bundle":"https://pith.science/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/bundle.json","state":"https://pith.science/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/state.json","well_known_bundle":"https://pith.science/.well-known/pith/F7OOKAATSVLTZZ6W72M4CKBOBR/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:F7OOKAATSVLTZZ6W72M4CKBOBR","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":"8b7203869c5b4ba131b1f3338898a329b951c2a124b96fcf6d1fa0c698d7a143","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-20T14:13:35Z","title_canon_sha256":"d9824219956e263a510d1d9a266e9e48d85fa0955d3164abca4ccb838d1a14c0"},"schema_version":"1.0","source":{"id":"2607.17978","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.17978","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"arxiv_version","alias_value":"2607.17978v1","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.17978","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_12","alias_value":"F7OOKAATSVLT","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_16","alias_value":"F7OOKAATSVLTZZ6W","created_at":"2026-07-21T02:22:10Z"},{"alias_kind":"pith_short_8","alias_value":"F7OOKAAT","created_at":"2026-07-21T02:22:10Z"}],"graph_snapshots":[{"event_id":"sha256:512c9c66a72d4a012e838d5bfd05980a3b10093369fb95665690ab3e818a0844","target":"graph","created_at":"2026-07-21T02:22:10Z","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/2607.17978/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We present RuNNer 2.0, the \"Ruhr University Neural Network energy representation\", a highly optimized software suite for training and evaluating high-dimensional neural network potentials (HDNNPs) of the second, third, and fourth generation. Long-range electrostatics and charge equilibration (QEq) for the description of non-local charge transfer in fourth-generation (4G) HDNNPs are accelerated by quasi-linear-scaling plane-wave methods, reducing QEq computational complexity from $\\mathcal{O}(N^3)$ to $\\mathcal{O}(N\\log^2 N)$ such that linear or quasi-linear scaling is achieved across all HDNNP","authors_text":"Alea Miako Liebetrau, Alexander L. M. Knoll, Emir Kocer, Gunnar Schmitz, Henry Wang, Jonas A. Finkler, J\\\"org Behler, K. Nikolas Lausch, Marco Eckhoff, Moritz Gubler, Moritz R. Sch\\\"afer, Redouan El Haouari, Richard Springborn","cross_cats":["cond-mat.mtrl-sci","physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-20T14:13:35Z","title":"RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.17978","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:e60d9fddc68319979d5d8ed755da919b9b949713970b74263f81660c76fe0ad1","target":"record","created_at":"2026-07-21T02:22:10Z","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":"8b7203869c5b4ba131b1f3338898a329b951c2a124b96fcf6d1fa0c698d7a143","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-20T14:13:35Z","title_canon_sha256":"d9824219956e263a510d1d9a266e9e48d85fa0955d3164abca4ccb838d1a14c0"},"schema_version":"1.0","source":{"id":"2607.17978","kind":"arxiv","version":1}},"canonical_sha256":"2fdce5001395573ce7d6fe99c1282e0c7bff9c4ddc22461f338ee7bd4cdae3df","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"2fdce5001395573ce7d6fe99c1282e0c7bff9c4ddc22461f338ee7bd4cdae3df","first_computed_at":"2026-07-21T02:22:10.166739Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-21T02:22:10.166739Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"2jYfUl63eNrGCjY105kGQTCgDVQWDtnVICkfIMsG2sLnBviSrRqm2es34FCT06eZhzfkIxe8fMuxqmT7Oy/dDQ==","signature_status":"signed_v1","signed_at":"2026-07-21T02:22:10.167571Z","signed_message":"canonical_sha256_bytes"},"source_id":"2607.17978","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:e60d9fddc68319979d5d8ed755da919b9b949713970b74263f81660c76fe0ad1","sha256:512c9c66a72d4a012e838d5bfd05980a3b10093369fb95665690ab3e818a0844"],"state_sha256":"2499e17bbbe7d228821f538372925fb218d40526deebe128ff2ee76bf6dbf658"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ID7C9KSiS6gIdYJZKNlDfYEApvmPoaq3se32shHmO7SUQ3vTUASvzsE9AV0y8pKN+IOrY4I2MCvU5xgFnB+UBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-15T08:08:54.761178Z","bundle_sha256":"8f4955ee912be1ed25055bf0e965b10c6a649f97eefdcf6611d59e9e3d5d5e1d"}}