{"id":116741,"date":"2020-12-06T08:22:45","date_gmt":"2020-12-06T16:22:45","guid":{"rendered":"https:\/\/lifeboat.com\/blog\/2020\/12\/unlocking-the-secrets-of-chemical-bonding-with-machine-learning"},"modified":"2020-12-06T08:22:45","modified_gmt":"2020-12-06T16:22:45","slug":"unlocking-the-secrets-of-chemical-bonding-with-machine-learning","status":"publish","type":"post","link":"https:\/\/lifeboat.com\/blog\/2020\/12\/unlocking-the-secrets-of-chemical-bonding-with-machine-learning","title":{"rendered":"Unlocking the secrets of chemical bonding with machine learning"},"content":{"rendered":"<p><a class=\"aligncenter blog-photo\" href=\"https:\/\/lifeboat.com\/blog.images\/unlocking-the-secrets-of-chemical-bonding-with-machine-learning.jpg\"><\/a><\/p>\n<p>A new machine learning approach offers important insights into catalysis, a fundamental process that makes it possible to reduce the emission of toxic exhaust gases or produce essential materials like fabric.<\/p>\n<p>In a report published in <i>Nature Communications<\/i>, Hongliang Xin, associate professor of chemical engineering at Virginia Tech, and his team of researchers developed a Bayesian learning model of chemisorption, or Bayeschem for short, aiming to use <a href=\"https:\/\/phys.org\/tags\/artificial+intelligence\/\" rel=\"tag\" class=\"\">artificial intelligence<\/a> to unlock the nature of chemical bonding at <a href=\"https:\/\/phys.org\/tags\/catalyst\/\" rel=\"tag\" class=\"\">catalyst<\/a> surfaces.<\/p>\n<p>\u201cIt all comes down to how catalysts bind with molecules,\u201d said Xin. \u201cThe interaction has to be strong enough to break some <a href=\"https:\/\/phys.org\/tags\/chemical+bonds\/\" rel=\"tag\" class=\"\">chemical bonds<\/a> at reasonably low temperatures, but not too strong that catalysts would be poisoned by reaction intermediates. This rule is known as the Sabatier principle in catalysis.\u201d<\/p>\n","protected":false},"excerpt":{"rendered":"<p>A new machine learning approach offers important insights into catalysis, a fundamental process that makes it possible to reduce the emission of toxic exhaust gases or produce essential materials like fabric. In a report published in Nature Communications, Hongliang Xin, associate professor of chemical engineering at Virginia Tech, and his team of researchers developed a [\u2026]<\/p>\n","protected":false},"author":396,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[19,6],"tags":[],"class_list":["post-116741","post","type-post","status-publish","format-standard","hentry","category-chemistry","category-robotics-ai"],"_links":{"self":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/116741","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\/396"}],"replies":[{"embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/comments?post=116741"}],"version-history":[{"count":0,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/posts\/116741\/revisions"}],"wp:attachment":[{"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/media?parent=116741"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/categories?post=116741"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/lifeboat.com\/blog\/wp-json\/wp\/v2\/tags?post=116741"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}