{"paper":{"title":"Accessible computational materials design with high fidelity and high throughput","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other","cs.CE","cs.DC","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Mohammad Mohammadi, Protik Das, Timur Bazhirov","submitted_at":"2018-07-15T22:04:59Z","abstract_excerpt":"Despite multiple successful applications of high-throughput computational materials design from first principles, there is a number of factors that inhibit its future adoption. Of particular importance are limited ability to provide high fidelity in a reliable manner and limited accessibility to non-expert users. We present example applications of a novel approach, where high-fidelity first-principles simulation techniques, Density Functional Theory with Hybrid Screened Exchange (HSE) and GW approximation, are standardized and made available online in an accessible and repeatable setting. We a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1807.05623","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"}