{"id":2373,"date":"2024-05-02T16:25:56","date_gmt":"2024-05-02T16:25:56","guid":{"rendered":"https:\/\/sdgnews.com\/?p=2373"},"modified":"2024-05-02T16:28:00","modified_gmt":"2024-05-02T16:28:00","slug":"georgia-tech-and-meta-create-massive-open-dataset-to-advance-ai-solutions-for-carbon-capture","status":"publish","type":"post","link":"https:\/\/sdgnews.com\/zh\/georgia-tech-and-meta-create-massive-open-dataset-to-advance-ai-solutions-for-carbon-capture\/","title":{"rendered":"Georgia Tech and Meta Create Massive Open Dataset to Advance AI Solutions for Carbon Capture"},"content":{"rendered":"\n<p>To avoid catastrophic climate impacts, excessive carbon emissions must be addressed. At this point, cutting emissions isn\u2019t enough. Direct air capture, a technology that pulls carbon dioxide out of ambient air, has great potential to help solve the problem.<\/p>\n\n\n\n<p>But there\u2019s a big challenge. For direct air capture technology, every type of environment and location requires a uniquely specific design. A direct air capture configuration in Texas, for example, would necessarily be different from one in Iceland. These systems must be designed with exact parameters for humidity, temperature, and air flows for each place.<\/p>\n\n\n\n<p>Now, Georgia Tech and Meta have collaborated to produce a massive database, potentially making it easier and faster to design and implement direct air capture technologies. The open-source database enabled the team to train an AI model that is orders of magnitude faster than existing chemistry simulations. The project, named&nbsp;<a href=\"https:\/\/open-dac.github.io\/\">OpenDAC<\/a>, could accelerate climate solutions the planet desperately needs.<\/p>\n\n\n\n<p>The team\u2019s research was&nbsp;<a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acscentsci.3c01629\">published<\/a>&nbsp;in&nbsp;<em>ACS Central Science<\/em>, a journal of the American Chemical Society.<\/p>\n\n\n\n<p><em>\u201cFor direct air capture, there are many ideas about how best to take advantage of the air flows and temperature swings of a given environment,\u201d<\/em> said&nbsp;<a href=\"https:\/\/research.gatech.edu\/andrew-medford\">Andrew J. Medford<\/a>, associate professor in the&nbsp;<a href=\"https:\/\/www.chbe.gatech.edu\/\">School of Chemical and Biomolecular Engineering<\/a>&nbsp;(ChBE) and a lead author of the paper. <em>\u201cBut a major problem is finding a material that can capture carbon efficiently under each environment\u2019s specific conditions.\u201d<\/em><\/p>\n\n\n\n<p>Their idea was to<em> \u201ccreate a database and a set of tools to help engineers broadly, who need to find the right material that can work,\u201d<\/em> Medford said. <em>\u201cWe wanted to use computing to take them from not knowing where to start to giving them a robust list of materials to synthesize and try.\u201d<\/em><\/p>\n\n\n\n<p>Containing reaction data for 8,400 different materials and powered by nearly 40 million quantum mechanics calculations, the team believes it\u2019s the largest and most robust dataset of its kind.<\/p>\n\n\n\t\t<div data-elementor-type=\"page\" data-elementor-id=\"2169\" class=\"elementor elementor-2169\" data-elementor-post-type=\"elementor_library\">\n\t\t\t\t<div class=\"elementor-element elementor-element-1ad85f5 e-flex e-con-boxed e-con e-parent\" data-id=\"1ad85f5\" data-element_type=\"container\" data-e-type=\"container\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t\t\t<div class=\"elementor-element elementor-element-c4c36b5 elementor-widget elementor-widget-heading\" data-id=\"c4c36b5\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\"><h5 data-elementor-setting-key=\"title\" data-pen-placeholder=\"Type Here...\" style=\"font-family: joanna-nova, sans-serif;font-weight: 400;line-height: var( --e-global-typography-7044a64-line-height );font-size: var( --e-global-typography-7044a64-font-size );letter-spacing: normal;text-align: center\">Change the World - Subscribe Now<\/h5><\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-392f45d elementor-widget__width-initial elementor-button-align-stretch elementor-widget elementor-widget-form\" data-id=\"392f45d\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;step_next_label&quot;:&quot;Next&quot;,&quot;step_previous_label&quot;:&quot;Previous&quot;,&quot;button_width&quot;:&quot;50&quot;,&quot;step_type&quot;:&quot;number_text&quot;,&quot;step_icon_shape&quot;:&quot;circle&quot;}\" data-widget_type=\"form.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<form class=\"elementor-form\" method=\"post\" name=\"Newsletter Signup Footer\" aria-label=\"Newsletter Signup Footer\">\n\t\t\t<input type=\"hidden\" name=\"post_id\" value=\"2169\"\/>\n\t\t\t<input type=\"hidden\" name=\"form_id\" value=\"392f45d\"\/>\n\t\t\t<input type=\"hidden\" name=\"referer_title\" value=\"UN Global Compact SDG Investment Forum Wraps Up with Debut of Groundbreaking Sustainable Finance Report - SDG News\" \/>\n\n\t\t\t\t\t\t\t<input type=\"hidden\" name=\"queried_id\" value=\"4091\"\/>\n\t\t\t\n\t\t\t<div class=\"elementor-form-fields-wrapper elementor-labels-above\">\n\t\t\t\t\t\t\t\t<div class=\"elementor-field-type-email elementor-field-group elementor-column elementor-field-group-email elementor-col-50 elementor-field-required\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<input size=\"1\" type=\"email\" name=\"form_fields[email]\" id=\"form-field-email\" class=\"elementor-field elementor-size-xs  elementor-field-textual\" placeholder=\"Enter Email Address\" required=\"required\">\n\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<div class=\"elementor-field-group elementor-column elementor-field-type-submit elementor-col-50 e-form__buttons\">\n\t\t\t\t\t<button class=\"elementor-button elementor-size-xs\" type=\"submit\">\n\t\t\t\t\t\t<span class=\"elementor-button-content-wrapper\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-button-text\">Subscribe<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/button>\n\t\t\t\t<\/div>\n\t\t\t<\/div>\n\t\t<\/form>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\n\n\n\n<h3 class=\"wp-block-heading\" id=\"h-building-a-partnership-and-a-database\"><strong>Building a Partnership (and a Database)<\/strong><\/h3>\n\n\n\n<p>Researchers with Meta\u2019s&nbsp;<a href=\"https:\/\/ai.meta.com\/\" target=\"_blank\" rel=\"noreferrer noopener\">Fundamental AI Research (FAIR)<\/a>&nbsp;team were looking for ways to harness their machine learning prowess to address climate change. They landed on direct air capture as a promising technology and needed to find a partner with expertise in materials chemistry as it relates to carbon capture. They went straight to Georgia Tech.<\/p>\n\n\n\n<p><a href=\"https:\/\/research.gatech.edu\/david-s-sholl\" target=\"_blank\" rel=\"noreferrer noopener\">David Sholl<\/a>, ChBE professor, Cecile L. and David I.J. Wang Faculty Fellow, and director of Oak Ridge National Laboratory\u2019s&nbsp;<a href=\"https:\/\/www.ornl.gov\/content\/transformational-decarbonization-initiative\" target=\"_blank\" rel=\"noreferrer noopener\">Transformational Decarbonization Initiative<\/a>, is one of the world\u2019s top experts in metal-organic frameworks (MOFs). These are a class of materials promising for direct air capture because of their cagelike structure and proven ability to attract and trap carbon dioxide. Sholl brought Medford, who specializes in applying machine learning models to atomistic and quantum mechanical simulations as they relate to chemistry, into the project.<\/p>\n\n\n\n<p>Sholl, Medford, and their students provided all the inputs for the database. Because the database predicts the MOF interactions and the energy output of those interactions, considerable information was required.<\/p>\n\n\n\n<p>They needed to know the structure of nearly every known MOF \u2014 both the MOF structure by itself and the structure of the MOF interacting with carbon dioxide and water molecules.<\/p>\n\n\n\n<p><em>\u201cTo predict what a material might do, you need to know where every single atom is and what its chemical element is,\u201d<\/em> Medford said. <em>\u201cFiguring out the inputs for the database was half of the problem, and that\u2019s where our Georgia Tech team brought the core expertise.\u201d<\/em><\/p>\n\n\n\n<p>The team took advantage of large collections of MOF structures that Sholl and his collaborators had previously developed. They also created a large collection of structures that included imperfections found in practical materials.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\" id=\"h-the-power-of-machine-learning\"><strong>The Power of Machine Learning<\/strong><\/h3>\n\n\n\n<p><a href=\"https:\/\/anuroopsriram.com\/\" target=\"_blank\" rel=\"noreferrer noopener\">Anuroop Sriram<\/a>, research engineering lead at FAIR and first author on the paper, generated the database by running quantum chemistry computations on the inputs provided by the Georgia Tech team. These calculations used about 400 million CPU hours, which is hundreds of times more computing than the average academic computing lab can do in a year.<\/p>\n\n\n\n<p>FAIR also trained machine learning models on the database. Once trained on the 40 million calculations, the machine learning models were able to accurately predict how the thousands of MOFs would interact with carbon dioxide.<\/p>\n\n\n\n<p>The team demonstrated that their AI models are powerful new tools for material discovery, offering comparable accuracy to traditional quantum chemistry calculations while being much faster. These features will allow other researchers to extend the work to explore many other MOFs in the future.<\/p>\n\n\n\n<p><em>\u201cOur goal was to look at the set of all known MOFs and find those that most strongly attract carbon dioxide while not attracting other air components like water vapor, and using these highly accurate quantum computations to do so,\u201d<\/em> Sriram said. <em>\u201cTo our knowledge, this is something no other carbon capture database has been able to do.\u201d<\/em><\/p>\n\n\n\n<p>Putting their own database to use, the Georgia Tech and Meta teams identified about 241 MOFs of exceptionally high potential for direct air capture.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\" id=\"h-moving-forward-with-impact\"><strong>Moving Forward With Impact<\/strong><\/h3>\n\n\n\n<p><em>\u201cAccording&nbsp;<a href=\"https:\/\/www.un.org\/en\/climatechange\/net-zero-coalition#:~:text=to%202010%20levels.-,To%20keep%20global%20warming%20to%20no%20more%20than%201.5%C2%B0,reach%20net%20zero%20by%202050.\">to the UN<\/a>&nbsp;and most industrialized countries, we need to get to net-zero carbon dioxide emissions by 2050,\u201d<\/em> said Matt Uyttendaele, director of Meta\u2019s FAIR chemistry team and a co-author on the paper. <em>\u201cMost of that must happen by outright stopping carbon emissions, but we must also address historical carbon emissions and sectors of the economy that are very hard to decarbonize \u2014 such as aviation and heavy industry. That\u2019s why CO2 removal technologies like direct air capture must come online in the next 25 years.\u201d&nbsp;<\/em><\/p>\n\n\n\n<p>While direct air capture is still a nascent field, the researchers say it\u2019s crucial that groundbreaking tools \u2014 like the OpenDAC database made available in the team\u2019s paper \u2014 are in development now.&nbsp;<\/p>\n\n\n\n<p><em>\u201cThere is not going to be one solution that will get us to net-zero emissions,\u201d<\/em> Sriram said. <em>\u201cDirect air capture has great potential but needs to be scaled up significantly before we can make a real impact. I think the only way we can get there is by finding better materials.\u201d<\/em><\/p>\n\n\n\n<p>The researchers from both teams hope the scientific community will join the search for suitable materials. The entire OpenDAC dataset project is open source, from the data to the models to the algorithms.<\/p>\n\n\n\n<p><em>\u201cI hope this accelerates the development of negative-emission technologies like direct air capture that may not have been possible otherwise,\u201d<\/em> Medford said. <em>\u201cAs a species, we must solve this problem at some point. I hope this work can contribute to getting us there, and I think it has a real shot at doing that.\u201d<\/em><\/p>\n","protected":false},"excerpt":{"rendered":"<p>To avoid catastrophic climate impacts, excessive carbon emissions must be addressed. At this point, cutting emissions isn\u2019t enough. Direct air capture, a technology that pulls carbon dioxide out of ambient air, has great potential to help solve the problem. But there\u2019s a big challenge. For direct air capture technology, every type of environment and location [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":2375,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[34,32],"tags":[132,134,133,61,66,60,67],"class_list":["post-2373","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-climate-and-energy","category-innovation-technology","tag-direct-air-capture-dac","tag-georgia-tech","tag-meta","tag-sdg-news","tag-sdgs","tag-sustainable-development-goals","tag-un-sdgs"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO Premium plugin v22.3 (Yoast SEO v27.4) - https:\/\/yoast.com\/product\/yoast-seo-premium-wordpress\/ -->\n<title>Georgia Tech and Meta Create Massive Open Dataset to Advance AI Solutions for Carbon Capture - 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