{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:OILYPO6W3OMK3ENBS35PLPKUDS","short_pith_number":"pith:OILYPO6W","canonical_record":{"source":{"id":"2505.03755","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-04-18T19:09:37Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"8d94f77e2bf78a6daa09a07227c89187b3706c698e87c01f396e9c397ec06c3b","abstract_canon_sha256":"905f71d0b7ed6872d81dbeea91e9adb2929e452bc7ccbfed0ce3cc02f6894dc6"},"schema_version":"1.0"},"canonical_sha256":"721787bbd6db98ad91a196faf5bd541ca1bb744f6d7d69b98ddd08d87655a44b","source":{"kind":"arxiv","id":"2505.03755","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.03755","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"arxiv_version","alias_value":"2505.03755v1","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.03755","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_12","alias_value":"OILYPO6W3OMK","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_16","alias_value":"OILYPO6W3OMK3ENB","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_8","alias_value":"OILYPO6W","created_at":"2026-07-05T10:59:30Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:OILYPO6W3OMK3ENBS35PLPKUDS","target":"record","payload":{"canonical_record":{"source":{"id":"2505.03755","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-04-18T19:09:37Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"8d94f77e2bf78a6daa09a07227c89187b3706c698e87c01f396e9c397ec06c3b","abstract_canon_sha256":"905f71d0b7ed6872d81dbeea91e9adb2929e452bc7ccbfed0ce3cc02f6894dc6"},"schema_version":"1.0"},"canonical_sha256":"721787bbd6db98ad91a196faf5bd541ca1bb744f6d7d69b98ddd08d87655a44b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:59:30.414219Z","signature_b64":"NI+BFX2Gs9nyIg3kq58xzwc7i7TuHiuC9BilTDyZRG2MdJhc8LIyD1FzQ4rf5zc3XBClof+ZKzUYmvH+HhRqCg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"721787bbd6db98ad91a196faf5bd541ca1bb744f6d7d69b98ddd08d87655a44b","last_reissued_at":"2026-07-05T10:59:30.413726Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:59:30.413726Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2505.03755","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":"2026-07-05T10:59:30Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"lqwNRBf2NCow8IhkweO+MwPH2U3wXqx+gD+1lNtFmt+QGX1HfGKs/XMw5UE51p9NNReBVSjQzCSB505ZpqDwBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T20:50:54.971772Z"},"content_sha256":"ea1dca9c023819325eb0621ef61a964161971cbac8badf840fcebf53a5976395","schema_version":"1.0","event_id":"sha256:ea1dca9c023819325eb0621ef61a964161971cbac8badf840fcebf53a5976395"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:OILYPO6W3OMK3ENBS35PLPKUDS","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.comp-ph","authors_text":"Christopher Knight, Cong Liu, Laura Gagliardi, Matthew R. Hermes, Rishu Khurana, Valay Agarawal","submitted_at":"2025-04-18T19:09:37Z","abstract_excerpt":"Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized active space self-consistent field (LASSCF) calculations through the use of multiple graphics processing units (GPUs) to accelerate time-to-solution. Density fitting is leveraged to reduce memory requirements, and we demonstrate the ability to fully utilize multi-GPU compute nodes. Performance improvements of 5-10x in total application runtime were observed in"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.03755","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/2505.03755/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":"2026-07-05T10:59:30Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6LkBNRG7XPOkoXnM7fHFU/uARRSB9WXaErbMHFkqx9QjWpx6oCemz6PkQvoTflLAXUoegOzdI0v5dYi1aaYTAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T20:50:54.972300Z"},"content_sha256":"68e66447b2ed6ab1ede6c12897aeb6b265349e557a6b4d127b488c458d3faa07","schema_version":"1.0","event_id":"sha256:68e66447b2ed6ab1ede6c12897aeb6b265349e557a6b4d127b488c458d3faa07"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/OILYPO6W3OMK3ENBS35PLPKUDS/bundle.json","state_url":"https://pith.science/pith/OILYPO6W3OMK3ENBS35PLPKUDS/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/OILYPO6W3OMK3ENBS35PLPKUDS/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":"2026-08-16T20:50:54Z","links":{"resolver":"https://pith.science/pith/OILYPO6W3OMK3ENBS35PLPKUDS","bundle":"https://pith.science/pith/OILYPO6W3OMK3ENBS35PLPKUDS/bundle.json","state":"https://pith.science/pith/OILYPO6W3OMK3ENBS35PLPKUDS/state.json","well_known_bundle":"https://pith.science/.well-known/pith/OILYPO6W3OMK3ENBS35PLPKUDS/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:OILYPO6W3OMK3ENBS35PLPKUDS","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":"905f71d0b7ed6872d81dbeea91e9adb2929e452bc7ccbfed0ce3cc02f6894dc6","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-04-18T19:09:37Z","title_canon_sha256":"8d94f77e2bf78a6daa09a07227c89187b3706c698e87c01f396e9c397ec06c3b"},"schema_version":"1.0","source":{"id":"2505.03755","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.03755","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"arxiv_version","alias_value":"2505.03755v1","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.03755","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_12","alias_value":"OILYPO6W3OMK","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_16","alias_value":"OILYPO6W3OMK3ENB","created_at":"2026-07-05T10:59:30Z"},{"alias_kind":"pith_short_8","alias_value":"OILYPO6W","created_at":"2026-07-05T10:59:30Z"}],"graph_snapshots":[{"event_id":"sha256:68e66447b2ed6ab1ede6c12897aeb6b265349e557a6b4d127b488c458d3faa07","target":"graph","created_at":"2026-07-05T10:59:30Z","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/2505.03755/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized active space self-consistent field (LASSCF) calculations through the use of multiple graphics processing units (GPUs) to accelerate time-to-solution. Density fitting is leveraged to reduce memory requirements, and we demonstrate the ability to fully utilize multi-GPU compute nodes. Performance improvements of 5-10x in total application runtime were observed in","authors_text":"Christopher Knight, Cong Liu, Laura Gagliardi, Matthew R. Hermes, Rishu Khurana, Valay Agarawal","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-04-18T19:09:37Z","title":"Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.03755","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:ea1dca9c023819325eb0621ef61a964161971cbac8badf840fcebf53a5976395","target":"record","created_at":"2026-07-05T10:59:30Z","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":"905f71d0b7ed6872d81dbeea91e9adb2929e452bc7ccbfed0ce3cc02f6894dc6","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-04-18T19:09:37Z","title_canon_sha256":"8d94f77e2bf78a6daa09a07227c89187b3706c698e87c01f396e9c397ec06c3b"},"schema_version":"1.0","source":{"id":"2505.03755","kind":"arxiv","version":1}},"canonical_sha256":"721787bbd6db98ad91a196faf5bd541ca1bb744f6d7d69b98ddd08d87655a44b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"721787bbd6db98ad91a196faf5bd541ca1bb744f6d7d69b98ddd08d87655a44b","first_computed_at":"2026-07-05T10:59:30.413726Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:59:30.413726Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"NI+BFX2Gs9nyIg3kq58xzwc7i7TuHiuC9BilTDyZRG2MdJhc8LIyD1FzQ4rf5zc3XBClof+ZKzUYmvH+HhRqCg==","signature_status":"signed_v1","signed_at":"2026-07-05T10:59:30.414219Z","signed_message":"canonical_sha256_bytes"},"source_id":"2505.03755","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ea1dca9c023819325eb0621ef61a964161971cbac8badf840fcebf53a5976395","sha256:68e66447b2ed6ab1ede6c12897aeb6b265349e557a6b4d127b488c458d3faa07"],"state_sha256":"4293764e9ddc3e2d9e729f30728f61ad43c1d2cbad28e0b397c931f9cdd0dd4c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Y48AoEM5K4k6OSSrvdCok9I4SMKs5ovmXxisRXsTZlpfzVHBLUsxEiKn1cH1V65oXJlU/yh1xnoNHpDxqlwhCw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-16T20:50:54.975695Z","bundle_sha256":"7c5553741aaa6ac199e06c151d1362b9ebea4c6624256322e4eed09fb177f74c"}}