{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:ZUHS3V44YDRZHSTLYM2RM7X6IM","short_pith_number":"pith:ZUHS3V44","canonical_record":{"source":{"id":"2505.09418","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-14T14:18:26Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"863510b284cfb57663ff00f831b51dfe773f2aeb5d7560ad39d9a0963adedecf","abstract_canon_sha256":"9fafafc581df9d84803ae652025b242343e3506ee49072f67267532c779afdff"},"schema_version":"1.0"},"canonical_sha256":"cd0f2dd79cc0e393ca6bc335167efe433ad08b45e534a0357bca5d7dd152e5fc","source":{"kind":"arxiv","id":"2505.09418","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.09418","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"arxiv_version","alias_value":"2505.09418v1","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.09418","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_12","alias_value":"ZUHS3V44YDRZ","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_16","alias_value":"ZUHS3V44YDRZHSTL","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_8","alias_value":"ZUHS3V44","created_at":"2026-07-05T11:03:08Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:ZUHS3V44YDRZHSTLYM2RM7X6IM","target":"record","payload":{"canonical_record":{"source":{"id":"2505.09418","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-14T14:18:26Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"863510b284cfb57663ff00f831b51dfe773f2aeb5d7560ad39d9a0963adedecf","abstract_canon_sha256":"9fafafc581df9d84803ae652025b242343e3506ee49072f67267532c779afdff"},"schema_version":"1.0"},"canonical_sha256":"cd0f2dd79cc0e393ca6bc335167efe433ad08b45e534a0357bca5d7dd152e5fc","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:03:08.307184Z","signature_b64":"lQ6wO/2tTMzab2wAam9/xSvETUnEqj8zqbgZDX8F+FL4zVcqBeH933gcRXhiFE1nqY77b+SfZYtwS6GFk4HjCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"cd0f2dd79cc0e393ca6bc335167efe433ad08b45e534a0357bca5d7dd152e5fc","last_reissued_at":"2026-07-05T11:03:08.306690Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:03:08.306690Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2505.09418","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":"2026-07-05T11:03:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"zAyceyYSJeSJhAJ2pJt9un1UZ4r5YkGjxrFgptWjfCMXJ/ENOjXAPFsYt4aBdhpa+ewmTzeiN1DzhqxittKWDA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-20T00:27:19.614307Z"},"content_sha256":"6f4d91a5332b59350bfd58cbc54df554053774bb01d53490620b6271e38c9b43","schema_version":"1.0","event_id":"sha256:6f4d91a5332b59350bfd58cbc54df554053774bb01d53490620b6271e38c9b43"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:ZUHS3V44YDRZHSTLYM2RM7X6IM","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"DIALECT, a software package for exciton spectra and dynamics in large molecular assemblies from weak to strong light-matter coupling regimes","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Luca Nils Philipp, Richard Einsele, Roland Mitric, Xincheng Miao","submitted_at":"2025-05-14T14:18:26Z","abstract_excerpt":"The software package DIALECT is introduced, which provides the capability of calculating excited-state properties and nonadiabatic dynamics of large molecular systems and can be applied to simulate energy and charge-transfer processes in molecular materials. To this end, we employ the FMO-LC-TDDFTB methodology, which combines the use of the fragment molecular orbital approach with the density-functional tight-binding method and an excitonic Hamiltonian including local and charge-transfer excitations. In this work, we present the features and capabilities of the DIALECT software package in simu"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.09418","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/2505.09418/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":"2026-07-05T11:03:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6V3zL1WtkxQweJENYhO+B5l70394IsXyZ3dQA3oLUOIGAvbA5B5AB79XhUMDqoZoBlrwQXzRNKhDysDlGbL7Bw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-20T00:27:19.614622Z"},"content_sha256":"5cc361499c14aa63b1e1920c041d7c254b4e15b301cf80a64fb5f70abdfe1ab8","schema_version":"1.0","event_id":"sha256:5cc361499c14aa63b1e1920c041d7c254b4e15b301cf80a64fb5f70abdfe1ab8"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/bundle.json","state_url":"https://pith.science/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/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":"2026-08-20T00:27:19Z","links":{"resolver":"https://pith.science/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM","bundle":"https://pith.science/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/bundle.json","state":"https://pith.science/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/state.json","well_known_bundle":"https://pith.science/.well-known/pith/ZUHS3V44YDRZHSTLYM2RM7X6IM/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:ZUHS3V44YDRZHSTLYM2RM7X6IM","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":"9fafafc581df9d84803ae652025b242343e3506ee49072f67267532c779afdff","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-14T14:18:26Z","title_canon_sha256":"863510b284cfb57663ff00f831b51dfe773f2aeb5d7560ad39d9a0963adedecf"},"schema_version":"1.0","source":{"id":"2505.09418","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2505.09418","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"arxiv_version","alias_value":"2505.09418v1","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.09418","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_12","alias_value":"ZUHS3V44YDRZ","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_16","alias_value":"ZUHS3V44YDRZHSTL","created_at":"2026-07-05T11:03:08Z"},{"alias_kind":"pith_short_8","alias_value":"ZUHS3V44","created_at":"2026-07-05T11:03:08Z"}],"graph_snapshots":[{"event_id":"sha256:5cc361499c14aa63b1e1920c041d7c254b4e15b301cf80a64fb5f70abdfe1ab8","target":"graph","created_at":"2026-07-05T11:03:08Z","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/2505.09418/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The software package DIALECT is introduced, which provides the capability of calculating excited-state properties and nonadiabatic dynamics of large molecular systems and can be applied to simulate energy and charge-transfer processes in molecular materials. To this end, we employ the FMO-LC-TDDFTB methodology, which combines the use of the fragment molecular orbital approach with the density-functional tight-binding method and an excitonic Hamiltonian including local and charge-transfer excitations. In this work, we present the features and capabilities of the DIALECT software package in simu","authors_text":"Luca Nils Philipp, Richard Einsele, Roland Mitric, Xincheng Miao","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-14T14:18:26Z","title":"DIALECT, a software package for exciton spectra and dynamics in large molecular assemblies from weak to strong light-matter coupling regimes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.09418","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":"sha256:6f4d91a5332b59350bfd58cbc54df554053774bb01d53490620b6271e38c9b43","target":"record","created_at":"2026-07-05T11:03:08Z","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":"9fafafc581df9d84803ae652025b242343e3506ee49072f67267532c779afdff","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-05-14T14:18:26Z","title_canon_sha256":"863510b284cfb57663ff00f831b51dfe773f2aeb5d7560ad39d9a0963adedecf"},"schema_version":"1.0","source":{"id":"2505.09418","kind":"arxiv","version":1}},"canonical_sha256":"cd0f2dd79cc0e393ca6bc335167efe433ad08b45e534a0357bca5d7dd152e5fc","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"cd0f2dd79cc0e393ca6bc335167efe433ad08b45e534a0357bca5d7dd152e5fc","first_computed_at":"2026-07-05T11:03:08.306690Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:03:08.306690Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"lQ6wO/2tTMzab2wAam9/xSvETUnEqj8zqbgZDX8F+FL4zVcqBeH933gcRXhiFE1nqY77b+SfZYtwS6GFk4HjCw==","signature_status":"signed_v1","signed_at":"2026-07-05T11:03:08.307184Z","signed_message":"canonical_sha256_bytes"},"source_id":"2505.09418","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:6f4d91a5332b59350bfd58cbc54df554053774bb01d53490620b6271e38c9b43","sha256:5cc361499c14aa63b1e1920c041d7c254b4e15b301cf80a64fb5f70abdfe1ab8"],"state_sha256":"d3a5ac15d76787da866412683b38ffe56c1c6abfec1adecb2c0f75b5e091283c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"cKnr//PnBZCbohnqHJG+pP5a4lMaicv90HxZggHVSHT4wHPcpcwt+JtW2dsfobWEokhec2GNl2j6GoladSsbAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-20T00:27:19.618475Z","bundle_sha256":"2793c54be2ea0b14fa27bb4bc5b9f559c33bc89b2e8bcd6e25744540673a159e"}}