{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2012:DK2P4K3MNV6PUOLU742GLV43TY","short_pith_number":"pith:DK2P4K3M","canonical_record":{"source":{"id":"1203.2223","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2012-03-10T02:42:49Z","cross_cats_sorted":[],"title_canon_sha256":"07b0b41393dfe50e6cc50a1f0db96b2f5d0a7dbf19a2dae23c2f1e6d02f40ec3","abstract_canon_sha256":"5e67f78af73c0e04eeffc29041a284629da544f3fb84bb9a0988268491cb11e7"},"schema_version":"1.0"},"canonical_sha256":"1ab4fe2b6c6d7cfa3974ff3465d79b9e22cb7d3e1915562055a3c4ae5b6d9376","source":{"kind":"arxiv","id":"1203.2223","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1203.2223","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"arxiv_version","alias_value":"1203.2223v1","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1203.2223","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"pith_short_12","alias_value":"DK2P4K3MNV6P","created_at":"2026-05-18T12:27:04Z"},{"alias_kind":"pith_short_16","alias_value":"DK2P4K3MNV6PUOLU","created_at":"2026-05-18T12:27:04Z"},{"alias_kind":"pith_short_8","alias_value":"DK2P4K3M","created_at":"2026-05-18T12:27:04Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2012:DK2P4K3MNV6PUOLU742GLV43TY","target":"record","payload":{"canonical_record":{"source":{"id":"1203.2223","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2012-03-10T02:42:49Z","cross_cats_sorted":[],"title_canon_sha256":"07b0b41393dfe50e6cc50a1f0db96b2f5d0a7dbf19a2dae23c2f1e6d02f40ec3","abstract_canon_sha256":"5e67f78af73c0e04eeffc29041a284629da544f3fb84bb9a0988268491cb11e7"},"schema_version":"1.0"},"canonical_sha256":"1ab4fe2b6c6d7cfa3974ff3465d79b9e22cb7d3e1915562055a3c4ae5b6d9376","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T04:00:26.070524Z","signature_b64":"DQCuqBjI4eo9KFQTXGG7kBbN1iU42FAlQo2ZsmpNFdeqH9sg8XyI9Ne/3pcPd3E86mTouM1nWgLuWA2tkNfAAA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1ab4fe2b6c6d7cfa3974ff3465d79b9e22cb7d3e1915562055a3c4ae5b6d9376","last_reissued_at":"2026-05-18T04:00:26.069917Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T04:00:26.069917Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1203.2223","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":"2026-05-18T04:00:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EpswrRG3Boi/XYJT6eAJVxTBaXi1rNTkkPNXNv0OykcbwM1F2LVuuQ4H/WsaL63riFS1YYZSza6AIsxY05XIDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T09:42:42.697084Z"},"content_sha256":"308a3c8a857b1b638db87f6bbaa2979dcd6e713608343e079b479f27b3e43b54","schema_version":"1.0","event_id":"sha256:308a3c8a857b1b638db87f6bbaa2979dcd6e713608343e079b479f27b3e43b54"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2012:DK2P4K3MNV6PUOLU742GLV43TY","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Non-adiabatic molecular dynamics simulation for carrier transport in a molecular monolayer","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Junfeng Ren, Lin-Wang Wang, Nenad Vukmirovic","submitted_at":"2012-03-10T02:42:49Z","abstract_excerpt":"We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom system for 825 fs in about three hours using 51,744 computer cores while maintaining a plane wave pseudopotential density functional theory level accuracy for the Hamiltonian. Our simulation on a pentathiophene butyric acid monolayer reveals a previously unknown new mechanism for the carrier transport in such systems: the hole wave functions are localized by thermo fluctuation induced disorder, while its transport is "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1203.2223","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":""},"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":"2026-05-18T04:00:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"/Z5WoLLAOjC2mH7WBv2NEqW/qvv4Xa9axq/v4JpxAjv9kqDeDNI0nL5SJXfQGcO8mJqzRARPz52Afo13SdkIAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T09:42:42.697782Z"},"content_sha256":"9b946b87f9f6290bd0a2d7cc89ed78da13a06abaa635e9ca9357ec70d2c7e006","schema_version":"1.0","event_id":"sha256:9b946b87f9f6290bd0a2d7cc89ed78da13a06abaa635e9ca9357ec70d2c7e006"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/DK2P4K3MNV6PUOLU742GLV43TY/bundle.json","state_url":"https://pith.science/pith/DK2P4K3MNV6PUOLU742GLV43TY/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/DK2P4K3MNV6PUOLU742GLV43TY/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":"2026-05-26T09:42:42Z","links":{"resolver":"https://pith.science/pith/DK2P4K3MNV6PUOLU742GLV43TY","bundle":"https://pith.science/pith/DK2P4K3MNV6PUOLU742GLV43TY/bundle.json","state":"https://pith.science/pith/DK2P4K3MNV6PUOLU742GLV43TY/state.json","well_known_bundle":"https://pith.science/.well-known/pith/DK2P4K3MNV6PUOLU742GLV43TY/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2012:DK2P4K3MNV6PUOLU742GLV43TY","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":"5e67f78af73c0e04eeffc29041a284629da544f3fb84bb9a0988268491cb11e7","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2012-03-10T02:42:49Z","title_canon_sha256":"07b0b41393dfe50e6cc50a1f0db96b2f5d0a7dbf19a2dae23c2f1e6d02f40ec3"},"schema_version":"1.0","source":{"id":"1203.2223","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1203.2223","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"arxiv_version","alias_value":"1203.2223v1","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1203.2223","created_at":"2026-05-18T04:00:26Z"},{"alias_kind":"pith_short_12","alias_value":"DK2P4K3MNV6P","created_at":"2026-05-18T12:27:04Z"},{"alias_kind":"pith_short_16","alias_value":"DK2P4K3MNV6PUOLU","created_at":"2026-05-18T12:27:04Z"},{"alias_kind":"pith_short_8","alias_value":"DK2P4K3M","created_at":"2026-05-18T12:27:04Z"}],"graph_snapshots":[{"event_id":"sha256:9b946b87f9f6290bd0a2d7cc89ed78da13a06abaa635e9ca9357ec70d2c7e006","target":"graph","created_at":"2026-05-18T04:00:26Z","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":"We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom system for 825 fs in about three hours using 51,744 computer cores while maintaining a plane wave pseudopotential density functional theory level accuracy for the Hamiltonian. Our simulation on a pentathiophene butyric acid monolayer reveals a previously unknown new mechanism for the carrier transport in such systems: the hole wave functions are localized by thermo fluctuation induced disorder, while its transport is ","authors_text":"Junfeng Ren, Lin-Wang Wang, Nenad Vukmirovic","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2012-03-10T02:42:49Z","title":"Non-adiabatic molecular dynamics simulation for carrier transport in a molecular monolayer"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1203.2223","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":"sha256:308a3c8a857b1b638db87f6bbaa2979dcd6e713608343e079b479f27b3e43b54","target":"record","created_at":"2026-05-18T04:00:26Z","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":"5e67f78af73c0e04eeffc29041a284629da544f3fb84bb9a0988268491cb11e7","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2012-03-10T02:42:49Z","title_canon_sha256":"07b0b41393dfe50e6cc50a1f0db96b2f5d0a7dbf19a2dae23c2f1e6d02f40ec3"},"schema_version":"1.0","source":{"id":"1203.2223","kind":"arxiv","version":1}},"canonical_sha256":"1ab4fe2b6c6d7cfa3974ff3465d79b9e22cb7d3e1915562055a3c4ae5b6d9376","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"1ab4fe2b6c6d7cfa3974ff3465d79b9e22cb7d3e1915562055a3c4ae5b6d9376","first_computed_at":"2026-05-18T04:00:26.069917Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T04:00:26.069917Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"DQCuqBjI4eo9KFQTXGG7kBbN1iU42FAlQo2ZsmpNFdeqH9sg8XyI9Ne/3pcPd3E86mTouM1nWgLuWA2tkNfAAA==","signature_status":"signed_v1","signed_at":"2026-05-18T04:00:26.070524Z","signed_message":"canonical_sha256_bytes"},"source_id":"1203.2223","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:308a3c8a857b1b638db87f6bbaa2979dcd6e713608343e079b479f27b3e43b54","sha256:9b946b87f9f6290bd0a2d7cc89ed78da13a06abaa635e9ca9357ec70d2c7e006"],"state_sha256":"db325a0339d8d8561bb504aa86f2cc3df5bc8bbca71266ca3164058fcb9d5521"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"GtQ2cM+thOOle4uYzGY221XyCuD+9jowa/tYmbuDrFo1iah8eXWOprsl51k5Pcf2PigYPXsGHNu/DGR726Z7Bg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T09:42:42.701098Z","bundle_sha256":"d7120e0258bc32eb27eb01a4217b428515f0be1758dd970d07577d9ae2d8d648"}}