{"id":298,"date":"2023-09-22T11:45:01","date_gmt":"2023-09-22T14:45:01","guid":{"rendered":"https:\/\/www.ufrgs.br\/lvpp\/?p=298"},"modified":"2026-09-22T16:05:55","modified_gmt":"2026-09-22T19:05:55","slug":"jcosmo","status":"publish","type":"post","link":"https:\/\/www.ufrgs.br\/lvpp\/jcosmo\/","title":{"rendered":"JCOSMO v3.1.4 Released"},"content":{"rendered":"\n<p>Modern quasi-chemical models (like COSMO-SAC and COSMO-RS) are invaluable tools for a wide range of applications in chemistry, materials science, and drug discovery, enabling researchers to make informed decisions and explore novel chemical spaces.<\/p>\n\n\n\n<p>What&#8217;s New in JCOSMO v3.1.4:<\/p>\n\n\n\n<ul>\n<li>CS25 and CS25-C Models: Version 3.1.4 officially introduces the CS25 parameter set alongside its &#8216;compact&#8217; counterpart, CS25-C. These models represent a major step forward, built upon high-quality NWChem calculations and featuring the most recent data updates from LVPP. This addition provides users with highly accurate, state-of-the-art property predictions.<\/li>\n\n\n\n<li>Updated python interface: <strong>pyjcosmo<\/strong> is a Python wrapper for the <strong>JCOSMO<\/strong> thermodynamics software. It simplifies interaction with the JCOSMO Java gateway by handling data type conversions automatically.<\/li>\n\n\n\n<li>Expanded Phase Equilibria (Flash VLE &amp; LLE): brand-new flash calculation routines directly in the user interface. Users can now natively execute flash Vapor-Liquid Equilibrium (VLE) and Liquid-Liquid Equilibrium (LLE) calculations.<a href=\"https:\/\/www.ufrgs.br\/lvpp\/?action=i13_free_unsubscribe&amp;u=MQ=\" target=\"_blank\" rel=\"noreferrer noopener\"><\/a><\/li>\n<\/ul>\n\n\n\n<p>The LVPP tool JCOSMO is freely available for personal and academic use, just <a href=\"https:\/\/www.ufrgs.br\/lvpp\/download\/jcosmo\/\" data-type=\"URL\" data-id=\"jcosmo\">register and download it here<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Modern quasi-chemical models (like COSMO-SAC and COSMO-RS) are invaluable tools for a wide range of applications in chemistry, materials science, and drug discovery, enabling researchers to make informed decisions and explore novel chemical spaces. What&#8217;s New in JCOSMO v3.1.4: The&#8230;<br \/><a class=\"read-more-button\" href=\"https:\/\/www.ufrgs.br\/lvpp\/jcosmo\/\">Read more<\/a><\/p>\n","protected":false},"author":2,"featured_media":304,"comment_status":"closed","ping_status":"open","sticky":true,"template":"","format":"standard","meta":{"footnotes":""},"categories":[6],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/298"}],"collection":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/comments?post=298"}],"version-history":[{"count":6,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/298\/revisions"}],"predecessor-version":[{"id":473,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/posts\/298\/revisions\/473"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/media\/304"}],"wp:attachment":[{"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/media?parent=298"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/categories?post=298"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ufrgs.br\/lvpp\/wp-json\/wp\/v2\/tags?post=298"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}