{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/cascading-symmetry-constraint-during-machine","title":"Cascading symmetry constraint during machine learning-enabled structural search for sulfur induced Cu(111)-$(\\sqrt{43}\\times\\sqrt{43})$ surface reconstruction","arxiv_id":"2504.00519","date":"2025-04-01","proceeding":null,"authors":["Florian Brix","Mads-Peter Verner Christiansen","Bjørk Hammer"],"abstract":"In this work, we investigate how exploiting symmetry when creating and modifying structural models may speed up global atomistic structure optimization. We propose a search strategy in which models start from high symmetry configurations and then gradually evolve into lower symmetry models. The algorithm is named cascading symmetry search and is shown to be highly efficient for a number of known surface reconstructions. We use our method for the sulfur induced Cu (111) $(\\sqrt{43}\\times\\sqrt{43})$ surface reconstruction for which we identify a new highly stable structure which conforms with experimental evidence.","url_abs":"https://arxiv.org/abs/2504.00519v1","url_pdf":"https://arxiv.org/pdf/2504.00519v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"cascading-symmetry-constraint-during-machine","repo_url":"https://gitlab.com/agox/agox","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":null,"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}