{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:PKIK62MBT3DKEKE6SXAX2SMNKB","short_pith_number":"pith:PKIK62MB","canonical_record":{"source":{"id":"2404.09755","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-04-15T12:56:23Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"2b0b991a45f2f2f04f618936be2fe40e64102b68af91c1dee6b7e5514b2bcfb9","abstract_canon_sha256":"2f674e88c09996e1e491e28ec30ecdf4133ef99952d975d18682ab802b5268a6"},"schema_version":"1.0"},"canonical_sha256":"7a90af69819ec6a2289e95c17d498d50609aaa6a637cf00c4d03c96a4dde6d65","source":{"kind":"arxiv","id":"2404.09755","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2404.09755","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"arxiv_version","alias_value":"2404.09755v1","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2404.09755","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_12","alias_value":"PKIK62MBT3DK","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_16","alias_value":"PKIK62MBT3DKEKE6","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_8","alias_value":"PKIK62MB","created_at":"2026-07-05T08:50:55Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:PKIK62MBT3DKEKE6SXAX2SMNKB","target":"record","payload":{"canonical_record":{"source":{"id":"2404.09755","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-04-15T12:56:23Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"2b0b991a45f2f2f04f618936be2fe40e64102b68af91c1dee6b7e5514b2bcfb9","abstract_canon_sha256":"2f674e88c09996e1e491e28ec30ecdf4133ef99952d975d18682ab802b5268a6"},"schema_version":"1.0"},"canonical_sha256":"7a90af69819ec6a2289e95c17d498d50609aaa6a637cf00c4d03c96a4dde6d65","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:50:55.663761Z","signature_b64":"aC0r1LNvFq+rxY7aie4j1FDTigI/SEMJEpP4Z2BWzEkf1Nq/w1A1TJI8vvihmFFLDMKI14mteprS4+DCcNEbAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7a90af69819ec6a2289e95c17d498d50609aaa6a637cf00c4d03c96a4dde6d65","last_reissued_at":"2026-07-05T08:50:55.663291Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:50:55.663291Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2404.09755","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":"2026-07-05T08:50:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"lBVmvWrNvRSWgImLhXjyZQQ2kih4Sfb5MYM9+dIwjkweUFQ8mYuonQE1FcpxWY0kRnc9i3efZzH4QVk9ja0WBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T07:32:53.622375Z"},"content_sha256":"e076939cff70cfa8d2cb68e3195cad68680f5690ae942e6398965b69896e346d","schema_version":"1.0","event_id":"sha256:e076939cff70cfa8d2cb68e3195cad68680f5690ae942e6398965b69896e346d"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:PKIK62MBT3DKEKE6SXAX2SMNKB","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Alexandre Tkatchenko, Claudia Filippi, Emiel Slootman, Igor Poltavsky, Jacopo Cocomello, Ravindra Shinde, Saverio Moroni","submitted_at":"2024-04-15T12:56:23Z","abstract_excerpt":"Quantum Monte Carlo (QMC) is a powerful method to calculate accurate energies and forces for molecular systems. In this work, we demonstrate how we can obtain accurate QMC forces for the fluxional ethanol molecule at room temperature by using either multi-determinant Jastrow-Slater wave functions in variational Monte Carlo or just a single determinant in diffusion Monte Carlo. The excellent performance of our protocols is assessed against high-level coupled cluster calculations on a diverse set of representative configurations of the system. Finally, we train machine-learning force fields on t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2404.09755","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2404.09755/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T08:50:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"KmNDfyouwcIOh1+Bs2lyQZTmS8AN96A965mLIs0TwCkloK9MyJltTTnpkga1tSYs9svmVISN0FVGnS9eXtDZBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T07:32:53.622768Z"},"content_sha256":"1083699f5ac31fcfc5672a44818345862393cb2cd785b9c78b0ae2c9f6731ed1","schema_version":"1.0","event_id":"sha256:1083699f5ac31fcfc5672a44818345862393cb2cd785b9c78b0ae2c9f6731ed1"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/bundle.json","state_url":"https://pith.science/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/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":"2026-07-07T07:32:53Z","links":{"resolver":"https://pith.science/pith/PKIK62MBT3DKEKE6SXAX2SMNKB","bundle":"https://pith.science/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/bundle.json","state":"https://pith.science/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/state.json","well_known_bundle":"https://pith.science/.well-known/pith/PKIK62MBT3DKEKE6SXAX2SMNKB/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:PKIK62MBT3DKEKE6SXAX2SMNKB","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":"2f674e88c09996e1e491e28ec30ecdf4133ef99952d975d18682ab802b5268a6","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-04-15T12:56:23Z","title_canon_sha256":"2b0b991a45f2f2f04f618936be2fe40e64102b68af91c1dee6b7e5514b2bcfb9"},"schema_version":"1.0","source":{"id":"2404.09755","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2404.09755","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"arxiv_version","alias_value":"2404.09755v1","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2404.09755","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_12","alias_value":"PKIK62MBT3DK","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_16","alias_value":"PKIK62MBT3DKEKE6","created_at":"2026-07-05T08:50:55Z"},{"alias_kind":"pith_short_8","alias_value":"PKIK62MB","created_at":"2026-07-05T08:50:55Z"}],"graph_snapshots":[{"event_id":"sha256:1083699f5ac31fcfc5672a44818345862393cb2cd785b9c78b0ae2c9f6731ed1","target":"graph","created_at":"2026-07-05T08:50:55Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2404.09755/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Quantum Monte Carlo (QMC) is a powerful method to calculate accurate energies and forces for molecular systems. In this work, we demonstrate how we can obtain accurate QMC forces for the fluxional ethanol molecule at room temperature by using either multi-determinant Jastrow-Slater wave functions in variational Monte Carlo or just a single determinant in diffusion Monte Carlo. The excellent performance of our protocols is assessed against high-level coupled cluster calculations on a diverse set of representative configurations of the system. Finally, we train machine-learning force fields on t","authors_text":"Alexandre Tkatchenko, Claudia Filippi, Emiel Slootman, Igor Poltavsky, Jacopo Cocomello, Ravindra Shinde, Saverio Moroni","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-04-15T12:56:23Z","title":"Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2404.09755","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:e076939cff70cfa8d2cb68e3195cad68680f5690ae942e6398965b69896e346d","target":"record","created_at":"2026-07-05T08:50:55Z","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":"2f674e88c09996e1e491e28ec30ecdf4133ef99952d975d18682ab802b5268a6","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-04-15T12:56:23Z","title_canon_sha256":"2b0b991a45f2f2f04f618936be2fe40e64102b68af91c1dee6b7e5514b2bcfb9"},"schema_version":"1.0","source":{"id":"2404.09755","kind":"arxiv","version":1}},"canonical_sha256":"7a90af69819ec6a2289e95c17d498d50609aaa6a637cf00c4d03c96a4dde6d65","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7a90af69819ec6a2289e95c17d498d50609aaa6a637cf00c4d03c96a4dde6d65","first_computed_at":"2026-07-05T08:50:55.663291Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:50:55.663291Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"aC0r1LNvFq+rxY7aie4j1FDTigI/SEMJEpP4Z2BWzEkf1Nq/w1A1TJI8vvihmFFLDMKI14mteprS4+DCcNEbAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T08:50:55.663761Z","signed_message":"canonical_sha256_bytes"},"source_id":"2404.09755","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:e076939cff70cfa8d2cb68e3195cad68680f5690ae942e6398965b69896e346d","sha256:1083699f5ac31fcfc5672a44818345862393cb2cd785b9c78b0ae2c9f6731ed1"],"state_sha256":"89d485b72c3f8f52c901f298198771da25f32c92cc1fc14c0479597d3ca81158"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BWAchepVOlKCrBTkPKzPVCMaGYLF6qoPc128vqkOXOWOFRsg2HgrY0HMSv4qusZ55E0SYLBHVmiAp6N+5I29Bw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-07T07:32:53.625634Z","bundle_sha256":"6a80a6d569cde7529b13cbfccd88d13eb31d9a7049f20a1d7dd1f04c059a5955"}}