{"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/open-architecture-implementation-of-fragment","title":"Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing","arxiv_id":"cs/0701075","date":"2007-01-11","proceeding":null,"authors":["Toshiya Takami","Jun Maki","Jun-ichi Ooba","Yuichi Inadomi","Hiroaki Honda","Taizo Kobayashi","Rie Nogita","Mutsumi Aoyagi"],"abstract":"We present our perspective and goals on highperformance computing for nanoscience in accordance with the global trend toward \"peta-scale computing.\" After reviewing our results obtained through the grid-enabled version of the fragment molecular orbital method (FMO) on the grid testbed by the Japanese Grid Project, National Research Grid Initiative (NAREGI), we show that FMO is one of the best candidates for peta-scale applications by predicting its effective performance in peta-scale computers. Finally, we introduce our new project constructing a peta-scale application in an open-architecture implementation of FMO in order to realize both goals of highperformance in peta-scale computers and extendibility to multiphysics simulations.","url_abs":"https://arxiv.org/abs/cs/0701075v1","url_pdf":"https://arxiv.org/pdf/cs/0701075v1.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":"open-architecture-implementation-of-fragment","repo_url":"https://github.com/OpenFMO/OpenFMO","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}