{"id":107602,"date":"2022-04-11T07:16:00","date_gmt":"2022-04-11T05:16:00","guid":{"rendered":"https:\/\/renewable-carbon.eu\/news\/?p=107602"},"modified":"2022-04-08T12:46:44","modified_gmt":"2022-04-08T10:46:44","slug":"new-techniques-could-harness-the-power-of-quantum-computing-for-carbon-capture","status":"publish","type":"post","link":"https:\/\/renewable-carbon.eu\/news\/new-techniques-could-harness-the-power-of-quantum-computing-for-carbon-capture\/","title":{"rendered":"New techniques could harness the power of quantum computing for carbon capture"},"content":{"rendered":"\n\n\n

In California, in a research paper released by Quantinuum in collaboration with TotalEnergies, a quantum algorithm accurately modeled carbon capture in metal organic frameworks (MOFs).<\/a> The new techniques break down the complex molecular interactions of carbon dioxide with MOFs for simulation on a quantum computer.<\/p>\n\n\n\n

By investigating different fragmentation strategies and solvers, they propose a methodology to apply quantum computing to Al-fumarate interacting with a CO2<\/sub> molecule, demonstrating the feasibility of treating a complex porous system as a concrete application of quantum computing. Their work paves the way for the use of quantum computing techniques in the quest of sorbents optimization for more efficient carbon capture and conversion applications.<\/p>\n\n\n\n

Modelling Carbon Capture on Metal-Organic Frameworks with Quantum Computing<\/h3>\n\n\n\n

Despite the recent progress in quantum computational algorithms for chemistry, there is a dearth of quantum computational simulations focused on material science applications, especially for the energy sector, where next generation sorbing materials are urgently needed to battle climate change. To drive their development, quantum computing is applied to the problem of CO2adsorption in Al-fumarate Metal-Organic Frameworks. Fragmentation strategies based on Density Matrix Embedding Theory are applied, using a variational quantum algorithm as a fragment solver, along with active space selection to minimise qubit number. By investigating different fragmentation strategies and solvers, we propose a methodology to apply quantum computing to Al-fumarate interacting with a CO2 molecule, demonstrating the feasibility of treating a complex porous system as a concrete application of quantum computing. Our work paves the way for the use of quantum computing techniques in the quest of sorbents optimisation for more efficient carbon capture and conversion applications.<\/p>\n\n\n\n

Gabriel Greene-Diniz<\/a>, David Zsolt Manrique<\/a>, Wassil Sennane<\/a>, Yann Magnin<\/a>, Elvira Shishenina<\/a>, Philippe Cordier<\/a>, Philip Llewellyn<\/a>, Michal Krompiec<\/a>, Marko J. Ran\u010di\u0107<\/a>, David Mu\u00f1oz Ramo<\/a><\/p>\n\n\n\n

https:\/\/doi.org\/10.48550\/arXiv.2203.15546<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

In California, in a research paper released by Quantinuum in collaboration with TotalEnergies, a quantum algorithm accurately modeled carbon capture in metal organic frameworks (MOFs). The new techniques break down the complex molecular interactions of carbon dioxide with MOFs for simulation on a quantum computer. By investigating different fragmentation strategies and solvers, they propose a methodology to […]<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_seopress_robots_primary_cat":"none","nova_meta_subtitle":"The scientists believe these techniques will accelerate progress on developing MOFs to help stabilize greenhouse gas concentrations in the atmosphere","footnotes":""},"categories":[5571],"tags":[10744,10743],"supplier":[20153,18595],"class_list":["post-107602","post","type-post","status-publish","format-standard","hentry","category-co2-based","tag-carboncapture","tag-useco2","supplier-quantinuum","supplier-totalenergies"],"_links":{"self":[{"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/posts\/107602","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/comments?post=107602"}],"version-history":[{"count":0,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/posts\/107602\/revisions"}],"wp:attachment":[{"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/media?parent=107602"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/categories?post=107602"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/tags?post=107602"},{"taxonomy":"supplier","embeddable":true,"href":"https:\/\/renewable-carbon.eu\/news\/wp-json\/wp\/v2\/supplier?post=107602"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}