{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2014:EDPBOTHDNED4MYA2LKPUBFOCCQ","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":"26d62c70ad5db24102ba6078b03eafd9f9d879422c1a395877e4c3b56d594a28","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2014-01-13T22:56:22Z","title_canon_sha256":"eba3cc5556afd33a1f2d328ae0042e4d121833ed32557809d04903e7a937e458"},"schema_version":"1.0","source":{"id":"1401.3033","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1401.3033","created_at":"2026-05-18T02:57:16Z"},{"alias_kind":"arxiv_version","alias_value":"1401.3033v1","created_at":"2026-05-18T02:57:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1401.3033","created_at":"2026-05-18T02:57:16Z"},{"alias_kind":"pith_short_12","alias_value":"EDPBOTHDNED4","created_at":"2026-05-18T12:28:25Z"},{"alias_kind":"pith_short_16","alias_value":"EDPBOTHDNED4MYA2","created_at":"2026-05-18T12:28:25Z"},{"alias_kind":"pith_short_8","alias_value":"EDPBOTHD","created_at":"2026-05-18T12:28:25Z"}],"graph_snapshots":[{"event_id":"sha256:d21bfcd0c96be70637ddef9a866d4c224a711bca2238b31495e4531bd840ab92","target":"graph","created_at":"2026-05-18T02:57:16Z","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 extend ring-polymer molecular dynamics (RPMD) to allow for the direct simulation of general, electronically non-adiabatic chemical processes. The kinetically constrained (KC) RPMD method uses the imaginary-time path-integral representation in the set of nuclear coordinates and electronic states to provide continuous equations of motion that describe the quantized, electronically non-adiabatic dynamics of the system. KC-RPMD preserves the favorable properties of the usual RPMD formulation in the position representation, including rigorous detailed balance, time-reversal symmetry, and invaria","authors_text":"Artur R. Menzeleev, Franziska Bell, Thomas F. Miller III","cross_cats":["physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2014-01-13T22:56:22Z","title":"Kinetically Constrained Ring-Polymer Molecular Dynamics for Non-adiabatic Chemical Reactions"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1401.3033","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":"sha256:647c9bcd53e647c788cff2f14fcbcbb799ac731a9d65ac43700e62fc7b3f1eb6","target":"record","created_at":"2026-05-18T02:57:16Z","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":"26d62c70ad5db24102ba6078b03eafd9f9d879422c1a395877e4c3b56d594a28","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2014-01-13T22:56:22Z","title_canon_sha256":"eba3cc5556afd33a1f2d328ae0042e4d121833ed32557809d04903e7a937e458"},"schema_version":"1.0","source":{"id":"1401.3033","kind":"arxiv","version":1}},"canonical_sha256":"20de174ce36907c6601a5a9f4095c21427daaecb2ee112dc77e593be71f12c91","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"20de174ce36907c6601a5a9f4095c21427daaecb2ee112dc77e593be71f12c91","first_computed_at":"2026-05-18T02:57:16.725340Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T02:57:16.725340Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"JLS4ILyjkPQkdl0Kggy7nIz8Lhxi5MVQICYFtscU0rU18VLlqYVu9rTX9E4jWT/ZLVFNqBH3GFREzj+itxrADQ==","signature_status":"signed_v1","signed_at":"2026-05-18T02:57:16.726071Z","signed_message":"canonical_sha256_bytes"},"source_id":"1401.3033","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:647c9bcd53e647c788cff2f14fcbcbb799ac731a9d65ac43700e62fc7b3f1eb6","sha256:d21bfcd0c96be70637ddef9a866d4c224a711bca2238b31495e4531bd840ab92"],"state_sha256":"8b91a0cecb305bbef8664f58ed94f01c349713813eb4e8cc70bdd357529e4f94"}