{"id":17,"date":"2017-08-16T09:00:01","date_gmt":"2017-08-16T16:00:01","guid":{"rendered":""},"modified":"2024-10-10T11:35:26","modified_gmt":"2024-10-10T18:35:26","slug":"elucidating-reaction-mechanisms-on-quantum-computers","status":"publish","type":"post","link":"https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/2017\/08\/16\/elucidating-reaction-mechanisms-on-quantum-computers\/","title":{"rendered":"Elucidating reaction mechanisms on quantum computers"},"content":{"rendered":"<p>&nbsp;<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-18\" src=\"https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1.png\" alt=\"\" width=\"767\" height=\"430\" srcset=\"https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1.webp 767w, https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1-300x168.webp 300w, https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1-330x185.webp 330w, https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1-400x224.webp 400w, https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/wp-content\/uploads\/2017\/09\/reaction-mechanisms-quantum-computers_700x393-767x430-1-235x132.webp 235w\" sizes=\"auto, (max-width: 767px) 100vw, 767px\" \/><\/p>\n<p>&nbsp;<\/p>\n<p>We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical-computer simulations for such problems, to significantly increase their accuracy and enable hitherto intractable simulations. Detailed resource estimates show that\u2014even when taking into account the substantial overhead of quantum error correction and the need to compile into discrete gate sets\u2014the necessary computations can be performed in reasonable time on small quantum computers. This demonstrates that quantum computers will realistically be able to tackle important problems in chemistry that are both scientifically and economically significant.<\/p>\n<p>&nbsp;<\/p>\n<p>Read the\u00a0<a href=\"https:\/\/www.microsoft.com\/en-us\/research\/blog\/problems-will-solve-quantum-computer\/\" target=\"_blank\" rel=\"noopener noreferrer\">authors\u2019 blog post<\/a>.<\/p>\n<p>Read the\u00a0<a href=\"https:\/\/www.microsoft.com\/en-us\/research\/publication\/elucidating-reaction-mechanisms-on-quantum-computers\/\" target=\"_blank\" rel=\"noopener noreferrer\">full paper<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>&nbsp; &nbsp; We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical-computer simulations for such problems, to significantly increase their accuracy and enable hitherto intractable simulations.<\/p>\n","protected":false},"author":0,"featured_media":13616,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"msxcm_post_with_no_image":false,"ep_exclude_from_search":false,"_classifai_error":"","_classifai_text_to_speech_error":"","footnotes":""},"post_tag":[9],"product":[],"content-type":[1320],"coauthors":[11],"class_list":["post-17","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","tag-quantum-computing","content-type-news"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.2 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Elucidating reaction mechanisms on quantum computers - Microsoft Azure Quantum Blog<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/azure.microsoft.com\/en-us\/blog\/quantum\/2017\/08\/16\/elucidating-reaction-mechanisms-on-quantum-computers\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Elucidating reaction mechanisms on quantum computers - Microsoft Azure Quantum Blog\" \/>\n<meta property=\"og:description\" content=\"&nbsp; &nbsp; We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. 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