{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2014:LMIN6FT6Q3XVESUB53D7AAFGGR","short_pith_number":"pith:LMIN6FT6","schema_version":"1.0","canonical_sha256":"5b10df167e86ef524a81eec7f000a63467b40026e47bbe04b3825764f97e4787","source":{"kind":"arxiv","id":"1407.0477","version":3},"attestation_state":"computed","paper":{"title":"A Variational Approach to Enhanced Sampling and Free Energy Calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.stat-mech","authors_text":"Michele Parrinello, Omar Valsson","submitted_at":"2014-07-02T08:20:05Z","abstract_excerpt":"The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variable. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free e"},"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":"1407.0477","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2014-07-02T08:20:05Z","cross_cats_sorted":["cond-mat.soft","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"d2ece24410ed4cc2dac91a136dcfb4e1c1c676963ec466d1f6e6abda4b3693e8","abstract_canon_sha256":"ba1713cc5da52a56d1ae679f472b5ae3e9967054565f7a89a918f193cd65fc8e"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:44:01.599065Z","signature_b64":"MFnw3vwfAJzdq/KnsyEONSCUmxNR6cPiyOyVyhCqx6ipPG23tuUc7e+KTdfJSHpigdTCmxR1kRW/q7/vsR8lDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"5b10df167e86ef524a81eec7f000a63467b40026e47bbe04b3825764f97e4787","last_reissued_at":"2026-05-18T02:44:01.598688Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:44:01.598688Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"A Variational Approach to Enhanced Sampling and Free Energy Calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.stat-mech","authors_text":"Michele Parrinello, Omar Valsson","submitted_at":"2014-07-02T08:20:05Z","abstract_excerpt":"The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variable. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free e"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1407.0477","kind":"arxiv","version":3},"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":"1407.0477","created_at":"2026-05-18T02:44:01.598740+00:00"},{"alias_kind":"arxiv_version","alias_value":"1407.0477v3","created_at":"2026-05-18T02:44:01.598740+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1407.0477","created_at":"2026-05-18T02:44:01.598740+00:00"},{"alias_kind":"pith_short_12","alias_value":"LMIN6FT6Q3XV","created_at":"2026-05-18T12:28:38.356838+00:00"},{"alias_kind":"pith_short_16","alias_value":"LMIN6FT6Q3XVESUB","created_at":"2026-05-18T12:28:38.356838+00:00"},{"alias_kind":"pith_short_8","alias_value":"LMIN6FT6","created_at":"2026-05-18T12:28:38.356838+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/LMIN6FT6Q3XVESUB53D7AAFGGR","json":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR.json","graph_json":"https://pith.science/api/pith-number/LMIN6FT6Q3XVESUB53D7AAFGGR/graph.json","events_json":"https://pith.science/api/pith-number/LMIN6FT6Q3XVESUB53D7AAFGGR/events.json","paper":"https://pith.science/paper/LMIN6FT6"},"agent_actions":{"view_html":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR","download_json":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR.json","view_paper":"https://pith.science/paper/LMIN6FT6","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1407.0477&json=true","fetch_graph":"https://pith.science/api/pith-number/LMIN6FT6Q3XVESUB53D7AAFGGR/graph.json","fetch_events":"https://pith.science/api/pith-number/LMIN6FT6Q3XVESUB53D7AAFGGR/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR/action/timestamp_anchor","attest_storage":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR/action/storage_attestation","attest_author":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR/action/author_attestation","sign_citation":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR/action/citation_signature","submit_replication":"https://pith.science/pith/LMIN6FT6Q3XVESUB53D7AAFGGR/action/replication_record"}},"created_at":"2026-05-18T02:44:01.598740+00:00","updated_at":"2026-05-18T02:44:01.598740+00:00"}