{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2013:B2PI7L3HBCZEALIPAFSBPVPEEJ","short_pith_number":"pith:B2PI7L3H","canonical_record":{"source":{"id":"1312.4698","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2013-12-17T09:34:35Z","cross_cats_sorted":["physics.chem-ph","quant-ph"],"title_canon_sha256":"9ac514cbbfe3dcfd0828e7e00f1b3e6d2ded2e9ad5550fd44bf61e01706b05c5","abstract_canon_sha256":"29e82b2fc3a888a1461c811112fc4b5d205b3d81dfeecab16b259cfe4a0561fb"},"schema_version":"1.0"},"canonical_sha256":"0e9e8faf6708b2402d0f016417d5e4224cda3274d9c23822221061494658af75","source":{"kind":"arxiv","id":"1312.4698","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1312.4698","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"arxiv_version","alias_value":"1312.4698v2","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1312.4698","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"pith_short_12","alias_value":"B2PI7L3HBCZE","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_16","alias_value":"B2PI7L3HBCZEALIP","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_8","alias_value":"B2PI7L3H","created_at":"2026-05-18T12:27:38Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2013:B2PI7L3HBCZEALIPAFSBPVPEEJ","target":"record","payload":{"canonical_record":{"source":{"id":"1312.4698","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2013-12-17T09:34:35Z","cross_cats_sorted":["physics.chem-ph","quant-ph"],"title_canon_sha256":"9ac514cbbfe3dcfd0828e7e00f1b3e6d2ded2e9ad5550fd44bf61e01706b05c5","abstract_canon_sha256":"29e82b2fc3a888a1461c811112fc4b5d205b3d81dfeecab16b259cfe4a0561fb"},"schema_version":"1.0"},"canonical_sha256":"0e9e8faf6708b2402d0f016417d5e4224cda3274d9c23822221061494658af75","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:52:23.311698Z","signature_b64":"gh5/c3gNqhScKvDUoc/tp2bqLGaHLuDrn5b2GXEEgqwjLAFpgmkky6nFmB7DCtx6Atu62pgRNWC20vGbdMD1CA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"0e9e8faf6708b2402d0f016417d5e4224cda3274d9c23822221061494658af75","last_reissued_at":"2026-05-18T02:52:23.310990Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:52:23.310990Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1312.4698","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":"2026-05-18T02:52:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"RSmzTARQ9UN4mD1IugwCV9ncnOx/pKg8hbylaqd4SbHB9yRUxoJupJQROZPwQUEV48mF1bSgGgCI3aJURD1BAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T05:23:51.810145Z"},"content_sha256":"c053f054066626337f589f22b49b9d00e52241fcbc8799efc7fb29ce19f510b8","schema_version":"1.0","event_id":"sha256:c053f054066626337f589f22b49b9d00e52241fcbc8799efc7fb29ce19f510b8"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2013:B2PI7L3HBCZEALIPAFSBPVPEEJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Graphics processing units accelerated semiclassical initial value representation molecular dynamics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph","quant-ph"],"primary_cat":"physics.comp-ph","authors_text":"Dario Tamascelli, Francesco S. Dambrosio, Michele Ceotto, Riccardo Conte","submitted_at":"2013-12-17T09:34:35Z","abstract_excerpt":"This paper presents a Graphics Processing Units (GPUs) implementation of the Semiclassical Initial Value Representation (SC-IVR) propagator for vibrational molecular spectroscopy calculations. The time-averaging formulation of the SC-IVR for power spectrum calculations is employed. Details about the GPU implementation of the semiclassical code are provided. Four molecules with an increasing number of atoms are considered and the GPU-calculated vibrational frequencies perfectly match the benchmark values. The computational time scaling of two GPUs (NVIDIA Tesla C2075 and Kepler K20) respectivel"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1312.4698","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":""},"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":"2026-05-18T02:52:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"V2ptIjbL8L/SMLZb5VUXgSp9s83KlqXRekdqOSVyFQxD65QdlpvWrr/igX54oN7b62JH3Rf211p+AEEMcg14BQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-23T05:23:51.810520Z"},"content_sha256":"f9edb28c5060df538c994f76ce1c4ec2fbd81340bd494da8448c26381ef8c6fc","schema_version":"1.0","event_id":"sha256:f9edb28c5060df538c994f76ce1c4ec2fbd81340bd494da8448c26381ef8c6fc"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/bundle.json","state_url":"https://pith.science/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/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":"2026-06-23T05:23:51Z","links":{"resolver":"https://pith.science/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ","bundle":"https://pith.science/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/bundle.json","state":"https://pith.science/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/B2PI7L3HBCZEALIPAFSBPVPEEJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:B2PI7L3HBCZEALIPAFSBPVPEEJ","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":"29e82b2fc3a888a1461c811112fc4b5d205b3d81dfeecab16b259cfe4a0561fb","cross_cats_sorted":["physics.chem-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2013-12-17T09:34:35Z","title_canon_sha256":"9ac514cbbfe3dcfd0828e7e00f1b3e6d2ded2e9ad5550fd44bf61e01706b05c5"},"schema_version":"1.0","source":{"id":"1312.4698","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1312.4698","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"arxiv_version","alias_value":"1312.4698v2","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1312.4698","created_at":"2026-05-18T02:52:23Z"},{"alias_kind":"pith_short_12","alias_value":"B2PI7L3HBCZE","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_16","alias_value":"B2PI7L3HBCZEALIP","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_8","alias_value":"B2PI7L3H","created_at":"2026-05-18T12:27:38Z"}],"graph_snapshots":[{"event_id":"sha256:f9edb28c5060df538c994f76ce1c4ec2fbd81340bd494da8448c26381ef8c6fc","target":"graph","created_at":"2026-05-18T02:52:23Z","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":"This paper presents a Graphics Processing Units (GPUs) implementation of the Semiclassical Initial Value Representation (SC-IVR) propagator for vibrational molecular spectroscopy calculations. The time-averaging formulation of the SC-IVR for power spectrum calculations is employed. Details about the GPU implementation of the semiclassical code are provided. Four molecules with an increasing number of atoms are considered and the GPU-calculated vibrational frequencies perfectly match the benchmark values. The computational time scaling of two GPUs (NVIDIA Tesla C2075 and Kepler K20) respectivel","authors_text":"Dario Tamascelli, Francesco S. Dambrosio, Michele Ceotto, Riccardo Conte","cross_cats":["physics.chem-ph","quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2013-12-17T09:34:35Z","title":"Graphics processing units accelerated semiclassical initial value representation molecular dynamics"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1312.4698","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:c053f054066626337f589f22b49b9d00e52241fcbc8799efc7fb29ce19f510b8","target":"record","created_at":"2026-05-18T02:52:23Z","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":"29e82b2fc3a888a1461c811112fc4b5d205b3d81dfeecab16b259cfe4a0561fb","cross_cats_sorted":["physics.chem-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2013-12-17T09:34:35Z","title_canon_sha256":"9ac514cbbfe3dcfd0828e7e00f1b3e6d2ded2e9ad5550fd44bf61e01706b05c5"},"schema_version":"1.0","source":{"id":"1312.4698","kind":"arxiv","version":2}},"canonical_sha256":"0e9e8faf6708b2402d0f016417d5e4224cda3274d9c23822221061494658af75","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"0e9e8faf6708b2402d0f016417d5e4224cda3274d9c23822221061494658af75","first_computed_at":"2026-05-18T02:52:23.310990Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T02:52:23.310990Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"gh5/c3gNqhScKvDUoc/tp2bqLGaHLuDrn5b2GXEEgqwjLAFpgmkky6nFmB7DCtx6Atu62pgRNWC20vGbdMD1CA==","signature_status":"signed_v1","signed_at":"2026-05-18T02:52:23.311698Z","signed_message":"canonical_sha256_bytes"},"source_id":"1312.4698","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:c053f054066626337f589f22b49b9d00e52241fcbc8799efc7fb29ce19f510b8","sha256:f9edb28c5060df538c994f76ce1c4ec2fbd81340bd494da8448c26381ef8c6fc"],"state_sha256":"98b56ba6987c3e879071db144bdbc689d3a80b12f6b90408922dc637047bd235"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"asfqtym27PMdey3ZUUivC/gjhRwHYz50U5MVwP6Mc93cegNdDwq3NfinryavIunSPQykkPO0u6YDzYl6s0LFDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-23T05:23:51.812517Z","bundle_sha256":"c4ccc5cd46428fa460f0d1ef77273a45e2e214b5c77cca1c0e7d930956895f1a"}}