{"id":227196,"date":"2025-12-16T01:44:43","date_gmt":"2025-12-16T07:44:43","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2025\/12\/integrative-quantum-chemistry-method-unlocks-secrets-of-advanced-materials"},"modified":"2025-12-16T01:44:43","modified_gmt":"2025-12-16T07:44:43","slug":"integrative-quantum-chemistry-method-unlocks-secrets-of-advanced-materials","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2025\/12\/integrative-quantum-chemistry-method-unlocks-secrets-of-advanced-materials","title":{"rendered":"Integrative quantum chemistry method unlocks secrets of advanced materials"},"content":{"rendered":"<p><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/integrative-quantum-chemistry-method-unlocks-secrets-of-advanced-materials2.jpg\"><\/a><\/p>\n<p>A new computational approach developed at the University of Chicago promises to shed light on some of the world\u2019s most puzzling materials\u2014from high-temperature superconductors to solar cell semiconductors\u2014by uniting two long-divided scientific perspectives.<\/p>\n<p>\u201cFor decades, chemists and physicists have used very different lenses to look at materials. What we\u2019ve done now is create a rigorous way to bring those perspectives together,\u201d said senior author Laura Gagliardi, Richard and Kathy Leventhal Professor in the Department of Chemistry and the Pritzker School of Molecular Engineering. \u201cThis gives us a new toolkit to understand and eventually design materials with extraordinary properties.\u201d<\/p>\n<p>When it comes to solids, physicists usually think in terms of broad, repeating band structures, while chemists focus on the local behavior of electrons in specific molecules or fragments. But many important materials\u2014such as organic semiconductors, metal\u2013organic frameworks, and strongly correlated oxides\u2014don\u2019t fit neatly into either picture. In these materials, <a href=\"https:\/\/phys.org\/news\/2023-10-electrons-strange-metal-world.html?utm_source=embeddings&utm_medium=related&utm_campaign=internal\" rel=\"related\">electrons<\/a> are often thought of as hopping between repeating fragments rather than being distributed across the material.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>A new computational approach developed at the University of Chicago promises to shed light on some of the world\u2019s most puzzling materials\u2014from high-temperature superconductors to solar cell semiconductors\u2014by uniting two long-divided scientific perspectives. \u201cFor decades, chemists and physicists have used very different lenses to look at materials. What we\u2019ve done now is create a rigorous [\u2026]<\/p>\n","protected":false},"author":427,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[19,1523,38,1617,1633,17],"tags":[],"class_list":["post-227196","post","type-post","status-publish","format-standard","hentry","category-chemistry","category-computing","category-engineering","category-quantum-physics","category-solar-power","category-sustainability"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/227196","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=227196"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/227196\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=227196"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=227196"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=227196"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}