{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:XRKM5G7LSZZ4SWNV2UCCC3JVFL","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":"268b649d8b9741d17c4a3de0aee8396c9d407f67df4d3ca8d7a1689ee9a02134","cross_cats_sorted":["quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-09-01T15:24:15Z","title_canon_sha256":"9c98b10b73f8ce72db344214c367f45f70f755485035678ad436d183516f55c9"},"schema_version":"1.0","source":{"id":"1609.00272","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1609.00272","created_at":"2026-05-18T00:39:47Z"},{"alias_kind":"arxiv_version","alias_value":"1609.00272v1","created_at":"2026-05-18T00:39:47Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1609.00272","created_at":"2026-05-18T00:39:47Z"},{"alias_kind":"pith_short_12","alias_value":"XRKM5G7LSZZ4","created_at":"2026-05-18T12:30:51Z"},{"alias_kind":"pith_short_16","alias_value":"XRKM5G7LSZZ4SWNV","created_at":"2026-05-18T12:30:51Z"},{"alias_kind":"pith_short_8","alias_value":"XRKM5G7L","created_at":"2026-05-18T12:30:51Z"}],"graph_snapshots":[{"event_id":"sha256:97f49fa068615d8942219d7f623d5d05c10d770d404cd83e37f7d63b02ed7340","target":"graph","created_at":"2026-05-18T00:39:47Z","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":"Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H$_2$ and D$_2$ diffusion through a hexagonal face shared by two large cages of clathrate hydrates over a wide range of temperatures. Path integral molecular dynamics simulations are used to compute the free-energy profiles for the diffusion of H$_2$ and D$_2$ as a function of temperature. Ring polymer molecular dynamics rate theory, incorporating both exact quantum statistics and approximate quantum dynamical effects, is utilized in the calculations","authors_text":"Anna Powers, Joseph R. Cendagorta, Mark E. Tuckerman, Ondrej Marsalek, Timothy J. H. Hele, Zlatko Ba\\v{c}i\\'c","cross_cats":["quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-09-01T15:24:15Z","title":"Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1609.00272","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":"sha256:6217fd54579e94d7fa8cdfec427426e29d937a0a2b86dffebad39637ae189654","target":"record","created_at":"2026-05-18T00:39:47Z","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":"268b649d8b9741d17c4a3de0aee8396c9d407f67df4d3ca8d7a1689ee9a02134","cross_cats_sorted":["quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-09-01T15:24:15Z","title_canon_sha256":"9c98b10b73f8ce72db344214c367f45f70f755485035678ad436d183516f55c9"},"schema_version":"1.0","source":{"id":"1609.00272","kind":"arxiv","version":1}},"canonical_sha256":"bc54ce9beb9673c959b5d504216d352ad4e8757e9ba2d96c39b41733c630a6b1","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"bc54ce9beb9673c959b5d504216d352ad4e8757e9ba2d96c39b41733c630a6b1","first_computed_at":"2026-05-18T00:39:47.483397Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:39:47.483397Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"hMK3lwdzAM5BTiItoEbtwVlUaXRVPqTKgqVVza923rheuZpGxPCHoC5hE5tkFs5JIvrxNkdyGwXuwGORWdkNDA==","signature_status":"signed_v1","signed_at":"2026-05-18T00:39:47.484159Z","signed_message":"canonical_sha256_bytes"},"source_id":"1609.00272","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:6217fd54579e94d7fa8cdfec427426e29d937a0a2b86dffebad39637ae189654","sha256:97f49fa068615d8942219d7f623d5d05c10d770d404cd83e37f7d63b02ed7340"],"state_sha256":"161f89169b026bb961665dac1fd773925ffc0fd2d953959b00fe4e6bfa4e7296"}