{"id":208991,"date":"2025-03-18T04:16:00","date_gmt":"2025-03-18T09:16:00","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2025\/03\/a-new-computational-method-for-super-large-scale-atomic-structures"},"modified":"2025-03-18T04:16:00","modified_gmt":"2025-03-18T09:16:00","slug":"a-new-computational-method-for-super-large-scale-atomic-structures","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2025\/03\/a-new-computational-method-for-super-large-scale-atomic-structures","title":{"rendered":"A new computational method for super-large-scale atomic structures"},"content":{"rendered":"<p><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/a-new-computational-method-for-super-large-scale-atomic-structures.jpg\"><\/a><\/p>\n<p>New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for super-large-scale atomic structures. This effective Hamiltonian method could simulate much larger structures than the methods based on quantum mechanisms and classical mechanics.<\/p>\n<p>The <a href=\"https:\/\/www.nature.com\/articles\/s41524-025-01563-z\" target=\"_blank\">findings<\/a> are published in <i>npj Computational Materials<\/i> under the title, \u201cActive learning of effective Hamiltonian for super-large-scale <a href=\"https:\/\/phys.org\/tags\/atomic+structures\/\" rel=\"tag\" class=\"\">atomic structures<\/a>.\u201d The paper was authored by an international team of physicists, including the University of Arkansas, Nanjing University, and the University of Luxembourg.<\/p>\n<p>In ferroelectrics and dielectrics, there is one kind of structure\u2014mesoscopic structure, which usually has atoms more than millions.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for super-large-scale atomic structures. This effective Hamiltonian method could simulate much larger structures than the methods based on quantum mechanisms and classical mechanics. The findings are published in npj Computational Materials under the title, \u201cActive learning of effective Hamiltonian for super-large-scale atomic structures.\u201d [\u2026]<\/p>\n","protected":false},"author":427,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[48,1617,6],"tags":[],"class_list":["post-208991","post","type-post","status-publish","format-standard","hentry","category-particle-physics","category-quantum-physics","category-robotics-ai"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/208991","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/users\/427"}],"replies":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/comments?post=208991"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/208991\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=208991"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=208991"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=208991"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}