{"paper":{"title":"Efficient Large-Scale STEM-EELS Simulations With Torched-TACAW","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"J\\'an Rusz, Jo\\~ao Vaz, Martin Osmera, Paul M. Zeiger","submitted_at":"2026-07-02T14:34:30Z","abstract_excerpt":"The time auto-correlation of auxiliary wave functions (TACAW) method enables efficient simulations of ultra-low-loss electron energy loss spectra (EELS) arising from vibrational and magnon excitations. In practical applications to realistic materials systems, however, TACAW calculations become challenging due to the large system sizes required for models containing defects, interfaces, impurities, or grain boundaries, as well as the substantial computational cost and data throughput associated with molecular dynamics and multislice calculations. Here we discuss a practical methodology for larg"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.02236","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/2607.02236/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"}