{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:7E3FCZ3MRQCJ3MFFYACZ26P3LA","short_pith_number":"pith:7E3FCZ3M","canonical_record":{"source":{"id":"2505.01403","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-02T17:26:49Z","cross_cats_sorted":["physics.atom-ph","physics.comp-ph"],"title_canon_sha256":"cd6b2a18888d0dc33bbf351a8666de284f98f4fdf978bcd18215af210e8c2c92","abstract_canon_sha256":"0176eec6734a29b1aab309b3b835e0601b377bbf4965de73f0d796dee6814f36"},"schema_version":"1.0"},"canonical_sha256":"f93651676c8c049db0a5c0059d79fb5834a1ebea7bb0c39fcd6ed028438b1cce","source":{"kind":"arxiv","id":"2505.01403","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.01403","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"arxiv_version","alias_value":"2505.01403v2","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.01403","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_12","alias_value":"7E3FCZ3MRQCJ","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_16","alias_value":"7E3FCZ3MRQCJ3MFF","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_8","alias_value":"7E3FCZ3M","created_at":"2026-07-05T12:06:10Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:7E3FCZ3MRQCJ3MFFYACZ26P3LA","target":"record","payload":{"canonical_record":{"source":{"id":"2505.01403","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-02T17:26:49Z","cross_cats_sorted":["physics.atom-ph","physics.comp-ph"],"title_canon_sha256":"cd6b2a18888d0dc33bbf351a8666de284f98f4fdf978bcd18215af210e8c2c92","abstract_canon_sha256":"0176eec6734a29b1aab309b3b835e0601b377bbf4965de73f0d796dee6814f36"},"schema_version":"1.0"},"canonical_sha256":"f93651676c8c049db0a5c0059d79fb5834a1ebea7bb0c39fcd6ed028438b1cce","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T12:06:10.111617Z","signature_b64":"u1Q/hV3OVqWSTY8F/rPeiu+PNx4G/0g/VyLutUNiZ1qqDsr/MdPVztm77VGMa5GiHj6ImnpFjwVycEOMEdu4BQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f93651676c8c049db0a5c0059d79fb5834a1ebea7bb0c39fcd6ed028438b1cce","last_reissued_at":"2026-07-05T12:06:10.111114Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T12:06:10.111114Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2505.01403","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":"2026-07-05T12:06:10Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"xo83HYbh+nU139PjOcQwrSCjVJKk61FlkksiQHBIOTJH+DhIE4HZfG+VdnUrl2FdYw5da2UY/3j87It6YTgcBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-12T13:45:57.399546Z"},"content_sha256":"3d780cc1b5a5ca33d685368b8ff50df01dc36530f356993872250785b64a6814","schema_version":"1.0","event_id":"sha256:3d780cc1b5a5ca33d685368b8ff50df01dc36530f356993872250785b64a6814"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:7E3FCZ3MRQCJ3MFFYACZ26P3LA","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Accelerating point defect photo-emission calculations with machine learning interatomic potentials","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["physics.atom-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Antoine Loew, Fredrik A. Nilsson, Haiyuan Wang, Kartikeya Sharma, Kristian S. Thygesen, Manjari Jain, Miguel A. L. Marques","submitted_at":"2025-05-02T17:26:49Z","abstract_excerpt":"We introduce a computational framework leveraging universal machine learning interatomic potentials (MLIPs) to dramatically accelerate the calculation of photoluminescence (PL) spectra of atomic or molecular emitters with ab initio accuracy. By replacing the costly density functional theory (DFT) computation of phonon modes with much faster MLIP phonon mode calculations, our approach achieves speed improvements exceeding an order of magnitude with minimal precision loss. We benchmark the approach using a dataset comprising ab initio emission spectra of 791 color centers spanning various types "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.01403","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/2505.01403/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":"2026-07-05T12:06:10Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"16PZVJyPv2WDTt9cewoYnFF2QSgDgpndQXFy1hznuO6pSF0s2S9qB3EB13DS681T+mOGCAVsAFUUnP9BnK37CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-12T13:45:57.400730Z"},"content_sha256":"adbd053e09c6ff9340baa48830e58883ca0d4e78ed0986dfcd76d0bd4557a59b","schema_version":"1.0","event_id":"sha256:adbd053e09c6ff9340baa48830e58883ca0d4e78ed0986dfcd76d0bd4557a59b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/bundle.json","state_url":"https://pith.science/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/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":"2026-08-12T13:45:57Z","links":{"resolver":"https://pith.science/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA","bundle":"https://pith.science/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/bundle.json","state":"https://pith.science/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/state.json","well_known_bundle":"https://pith.science/.well-known/pith/7E3FCZ3MRQCJ3MFFYACZ26P3LA/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:7E3FCZ3MRQCJ3MFFYACZ26P3LA","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":"0176eec6734a29b1aab309b3b835e0601b377bbf4965de73f0d796dee6814f36","cross_cats_sorted":["physics.atom-ph","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-02T17:26:49Z","title_canon_sha256":"cd6b2a18888d0dc33bbf351a8666de284f98f4fdf978bcd18215af210e8c2c92"},"schema_version":"1.0","source":{"id":"2505.01403","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.01403","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"arxiv_version","alias_value":"2505.01403v2","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.01403","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_12","alias_value":"7E3FCZ3MRQCJ","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_16","alias_value":"7E3FCZ3MRQCJ3MFF","created_at":"2026-07-05T12:06:10Z"},{"alias_kind":"pith_short_8","alias_value":"7E3FCZ3M","created_at":"2026-07-05T12:06:10Z"}],"graph_snapshots":[{"event_id":"sha256:adbd053e09c6ff9340baa48830e58883ca0d4e78ed0986dfcd76d0bd4557a59b","target":"graph","created_at":"2026-07-05T12:06:10Z","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/2505.01403/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We introduce a computational framework leveraging universal machine learning interatomic potentials (MLIPs) to dramatically accelerate the calculation of photoluminescence (PL) spectra of atomic or molecular emitters with ab initio accuracy. By replacing the costly density functional theory (DFT) computation of phonon modes with much faster MLIP phonon mode calculations, our approach achieves speed improvements exceeding an order of magnitude with minimal precision loss. We benchmark the approach using a dataset comprising ab initio emission spectra of 791 color centers spanning various types ","authors_text":"Antoine Loew, Fredrik A. Nilsson, Haiyuan Wang, Kartikeya Sharma, Kristian S. Thygesen, Manjari Jain, Miguel A. L. Marques","cross_cats":["physics.atom-ph","physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-02T17:26:49Z","title":"Accelerating point defect photo-emission calculations with machine learning interatomic potentials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.01403","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":"sha256:3d780cc1b5a5ca33d685368b8ff50df01dc36530f356993872250785b64a6814","target":"record","created_at":"2026-07-05T12:06:10Z","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":"0176eec6734a29b1aab309b3b835e0601b377bbf4965de73f0d796dee6814f36","cross_cats_sorted":["physics.atom-ph","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-05-02T17:26:49Z","title_canon_sha256":"cd6b2a18888d0dc33bbf351a8666de284f98f4fdf978bcd18215af210e8c2c92"},"schema_version":"1.0","source":{"id":"2505.01403","kind":"arxiv","version":2}},"canonical_sha256":"f93651676c8c049db0a5c0059d79fb5834a1ebea7bb0c39fcd6ed028438b1cce","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f93651676c8c049db0a5c0059d79fb5834a1ebea7bb0c39fcd6ed028438b1cce","first_computed_at":"2026-07-05T12:06:10.111114Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T12:06:10.111114Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"u1Q/hV3OVqWSTY8F/rPeiu+PNx4G/0g/VyLutUNiZ1qqDsr/MdPVztm77VGMa5GiHj6ImnpFjwVycEOMEdu4BQ==","signature_status":"signed_v1","signed_at":"2026-07-05T12:06:10.111617Z","signed_message":"canonical_sha256_bytes"},"source_id":"2505.01403","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:3d780cc1b5a5ca33d685368b8ff50df01dc36530f356993872250785b64a6814","sha256:adbd053e09c6ff9340baa48830e58883ca0d4e78ed0986dfcd76d0bd4557a59b"],"state_sha256":"579a6fa0966146754f81ee5d1819d11576b673c326ccf190a9c382d38b4a1351"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"T/+3yyvmomGFTEsO535JK0i/f1oXc/DcZEl7nBxp9kWLabjBVC+ZyjGFJ7s6SJHlsiSWkih7ofE5SMKzf3LEAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-12T13:45:57.407491Z","bundle_sha256":"5e977acb8a39c88945c5ad2f200a564d2b2dfcd96a02acdb9627ee970c99db9f"}}