{"id":50745,"date":"2026-04-15T10:04:09","date_gmt":"2026-04-15T08:04:09","guid":{"rendered":"https:\/\/www.h-its.org\/de\/event\/iwr-ellis-simplaix-joint-colloquium-gabor-csanyi-mace-force-field-models-for-the-periodic-table\/"},"modified":"2026-04-15T10:14:42","modified_gmt":"2026-04-15T08:14:42","slug":"joint-colloquium-gabor-csanyi","status":"publish","type":"tribe_events","link":"https:\/\/www.h-its.org\/de\/event\/joint-colloquium-gabor-csanyi\/","title":{"rendered":"IWR, EllIS, SIMPLAIX &#8211; Joint Colloquium &#8211; G\u00e1bor Cs\u00e1nyi: MACE Force Field Models for the Periodic Table"},"content":{"rendered":"<p>&nbsp;<\/p>\n<p>by <a href=\"https:\/\/www.mpip-mainz.mpg.de\/1131192\/01_Direktor\">G\u00e1bor Cs\u00e1nyi<\/a><\/p>\n<p>Director Max Planck Institute for Polymer Research (MPI-P)<\/p>\n<p>&nbsp;<\/p>\n<p>I will report on our latest efforts to create universally applicable machine learning force fields using the MACE architecture. Large publicly available databases (such as OMAT and OMOL) and large scale GPU compute allow the construction of force field models that cover most of the periodic table and are suitable out of the box for exploration tasks, and in some cases (e.g. organic molecules) for accurate production level simulations. Fine tuning material models with very little effort yields near-DFT accuracy. The latest models, such as MACE-POLAR-1 include electrostatic interactions with some notion of self-consistency.<\/p>\n<p>&nbsp;<\/p>\n<p>This colloquium is jointly organized by ELLIS, SIMPLAIX &amp; IWR.<\/p>\n<p>&nbsp;<\/p>\n<p>The colloquium will take place at:<\/p>\n<p>Mathematikon Heidelberg<br \/>\nConference Room 5\/104, 5th Floor<br \/>\nIm Neuenheimer Feld 205<br \/>\n69120 Heidelberg<\/p>\n","protected":false},"excerpt":{"rendered":"<p>&nbsp; by G\u00e1bor Cs\u00e1nyi Director Max Planck Institute for Polymer Research (MPI-P) &nbsp; I will report on our latest &#8230;<\/p>\n","protected":false},"author":168,"featured_media":50747,"template":"","meta":{"_acf_changed":false,"inline_featured_image":false,"_tribe_events_status":"","_tribe_events_status_reason":"","footnotes":""},"tags":[],"hits-research-group":[1422],"tribe_events_cat":[1345,1408],"class_list":["post-50745","tribe_events","type-tribe_events","status-publish","has-post-thumbnail","hentry","hits-research-group-simplaix","tribe_events_cat-oeffentliche-veranstaltungen","tribe_events_cat-kolloquien","cat_oeffentliche-veranstaltungen","cat_kolloquien"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.4 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>IWR, EllIS, SIMPLAIX - Joint Colloquium - G\u00e1bor Cs\u00e1nyi: MACE Force Field Models for the Periodic Table - HITS gGmbH<\/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:\/\/www.h-its.org\/de\/event\/joint-colloquium-gabor-csanyi\/\" \/>\n<meta property=\"og:locale\" content=\"de_DE\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"IWR, EllIS, SIMPLAIX - Joint Colloquium - G\u00e1bor Cs\u00e1nyi: MACE Force Field Models for the Periodic Table - HITS gGmbH\" \/>\n<meta property=\"og:description\" content=\"&nbsp; 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