{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2016:65KDYKDPPDTJ475WARRJZGE2QL","short_pith_number":"pith:65KDYKDP","schema_version":"1.0","canonical_sha256":"f7543c286f78e69e7fb604629c989a82eecfbea5ffa42714c43e04832a7acaeb","source":{"kind":"arxiv","id":"1606.04035","version":1},"attestation_state":"computed","paper":{"title":"Appraisal of the realistic accuracy of Molecular dynamics of high pressure hydrogen","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Graeme J Ackland, Ioan B Magd\\u{a}u","submitted_at":"2016-06-13T17:03:07Z","abstract_excerpt":"Molecular dynamics is a powerful method for studying the behaviour of materials at high temperature. In practice, however, its effectiveness in representing real systems is limited by the accuracy of the forces, finite size effects, quantization, and equilibration methods. In this paper we report and discuss some calculations carried out using molecular dynamics on high pressure hydrogen, reviewing a number of sources of error. We find that the neglect of zero-point vibrations is quantitively the largest. We show that simulations using ab initio molecular dynamics with the PBE functional predi"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1606.04035","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-06-13T17:03:07Z","cross_cats_sorted":[],"title_canon_sha256":"0de197250b3cf0c757b95710ba7c4ea212a3d88b7267f81d77ce50ef42118a13","abstract_canon_sha256":"4ccb79481fe03af07faf611d6f56b7f1103f5119e05322865f547f646c2bb1cd"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:12:32.319093Z","signature_b64":"yKlb5PUwMnlT3MEJ7BmoDw+GFh4RecIcA1sOMyrhz/bjGrZ8rGHgw74rdq+oanH21oZogeC/iUT9RNUNvPrzCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f7543c286f78e69e7fb604629c989a82eecfbea5ffa42714c43e04832a7acaeb","last_reissued_at":"2026-05-18T01:12:32.318538Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:12:32.318538Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Appraisal of the realistic accuracy of Molecular dynamics of high pressure hydrogen","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Graeme J Ackland, Ioan B Magd\\u{a}u","submitted_at":"2016-06-13T17:03:07Z","abstract_excerpt":"Molecular dynamics is a powerful method for studying the behaviour of materials at high temperature. In practice, however, its effectiveness in representing real systems is limited by the accuracy of the forces, finite size effects, quantization, and equilibration methods. In this paper we report and discuss some calculations carried out using molecular dynamics on high pressure hydrogen, reviewing a number of sources of error. We find that the neglect of zero-point vibrations is quantitively the largest. We show that simulations using ab initio molecular dynamics with the PBE functional predi"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1606.04035","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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1606.04035","created_at":"2026-05-18T01:12:32.318636+00:00"},{"alias_kind":"arxiv_version","alias_value":"1606.04035v1","created_at":"2026-05-18T01:12:32.318636+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1606.04035","created_at":"2026-05-18T01:12:32.318636+00:00"},{"alias_kind":"pith_short_12","alias_value":"65KDYKDPPDTJ","created_at":"2026-05-18T12:30:01.593930+00:00"},{"alias_kind":"pith_short_16","alias_value":"65KDYKDPPDTJ475W","created_at":"2026-05-18T12:30:01.593930+00:00"},{"alias_kind":"pith_short_8","alias_value":"65KDYKDP","created_at":"2026-05-18T12:30:01.593930+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL","json":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL.json","graph_json":"https://pith.science/api/pith-number/65KDYKDPPDTJ475WARRJZGE2QL/graph.json","events_json":"https://pith.science/api/pith-number/65KDYKDPPDTJ475WARRJZGE2QL/events.json","paper":"https://pith.science/paper/65KDYKDP"},"agent_actions":{"view_html":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL","download_json":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL.json","view_paper":"https://pith.science/paper/65KDYKDP","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1606.04035&json=true","fetch_graph":"https://pith.science/api/pith-number/65KDYKDPPDTJ475WARRJZGE2QL/graph.json","fetch_events":"https://pith.science/api/pith-number/65KDYKDPPDTJ475WARRJZGE2QL/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL/action/timestamp_anchor","attest_storage":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL/action/storage_attestation","attest_author":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL/action/author_attestation","sign_citation":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL/action/citation_signature","submit_replication":"https://pith.science/pith/65KDYKDPPDTJ475WARRJZGE2QL/action/replication_record"}},"created_at":"2026-05-18T01:12:32.318636+00:00","updated_at":"2026-05-18T01:12:32.318636+00:00"}