{"id":45849,"date":"2022-10-24T17:27:54","date_gmt":"2022-10-24T15:27:54","guid":{"rendered":"https:\/\/www.h-its.org\/de\/?p=45849"},"modified":"2022-10-24T17:27:54","modified_gmt":"2022-10-24T15:27:54","slug":"hits-simplaix-isayev","status":"publish","type":"post","link":"https:\/\/www.h-its.org\/de\/2022\/10\/24\/hits-simplaix-isayev\/","title":{"rendered":"Neuronale Netze und Computerchemie"},"content":{"rendered":"\n<div class=\"wp-block-image\"><figure class=\"alignleft size-large is-resized\"><a href=\"https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web.jpg\" target=\"_blank\" rel=\"noopener noreferrer\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-1024x580.jpg\" alt=\"\" class=\"wp-image-45851\" width=\"341\" height=\"193\" srcset=\"https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-1024x580.jpg 1024w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-300x170.jpg 300w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-768x435.jpg 768w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-1536x869.jpg 1536w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-640x362.jpg 640w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-1200x679.jpg 1200w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-1920x1087.jpg 1920w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-2x1.jpg 2w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-420x238.jpg 420w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web-610x345.jpg 610w, https:\/\/www.h-its.org\/de\/wp-content\/uploads\/sites\/2\/2022\/10\/Ole_SC07150_web.jpg 1924w\" sizes=\"auto, (max-width: 639px) 98vw, (max-width: 1199px) 64vw, 341px\" \/><\/a><\/figure><\/div>\n\n\n<!-- [if gte mso 9]><xml>\n <o:OfficeDocumentSettings>\n  <o:AllowPNG\/>\n <\/o:OfficeDocumentSettings>\n<\/xml><![endif]-->\n<p style=\"text-align: left;\">Am 26 September 2022 besuchte <a href=\"https:\/\/www.cmu.edu\/chemistry\/people\/faculty\/isayev.html\" target=\"_blank\" rel=\"noopener noreferrer\">Olexandr Isayev<\/a> (Carnegie Mellon University, USA) das HITS und hielt einen (hybriden) HITS\/SIMPLAIX Vortrag mit dem Titel: \u201cNeural networks learning computational chemistry\u201d.<\/p>\n<p style=\"text-align: left;\">SIMPLAIX-Mitarbeiter <a href=\"https:\/\/www.h-its.org\/people\/rostislav-fedorov\/\" target=\"_blank\" rel=\"noopener noreferrer\">Rostislav Fedorov <\/a>(HITS) \u00fcbernahm die Einf\u00fchrung ins Thema, stellte den Redner vor und moderierte die anschlie\u00dfende Discussion. Olexandr Isayevs Vortrag findet sich auf dem HITS Youtube-Channel.<\/p>\n<p><!-- \/wp:post-content --><!-- wp:paragraph --><\/p>\n<!-- [if gte mso 9]><xml>\n <w:WordDocument>\n  <w:View>Normal<\/w:View>\n  <w:Zoom>0<\/w:Zoom>\n  <w:TrackMoves\/>\n  <w:TrackFormatting\/>\n  <w:HyphenationZone>21<\/w:HyphenationZone>\n  <w:PunctuationKerning\/>\n  <w:ValidateAgainstSchemas\/>\n  <w:SaveIfXMLInvalid>false<\/w:SaveIfXMLInvalid>\n  <w:IgnoreMixedContent>false<\/w:IgnoreMixedContent>\n  <w:AlwaysShowPlaceholderText>false<\/w:AlwaysShowPlaceholderText>\n  <w:DoNotPromoteQF\/>\n  <w:LidThemeOther>DE<\/w:LidThemeOther>\n  <w:LidThemeAsian>X-NONE<\/w:LidThemeAsian>\n  <w:LidThemeComplexScript>X-NONE<\/w:LidThemeComplexScript>\n  <w:Compatibility>\n   <w:BreakWrappedTables\/>\n   <w:SnapToGridInCell\/>\n   <w:WrapTextWithPunct\/>\n   <w:UseAsianBreakRules\/>\n   <w:DontGrowAutofit\/>\n   <w:SplitPgBreakAndParaMark\/>\n   <w:EnableOpenTypeKerning\/>\n   <w:DontFlipMirrorIndents\/>\n   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