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--></style></head><body lang=en-SI link="#467886" vlink="#96607D" style='word-wrap:break-word'><div class=WordSection1><p class=MsoPlainText><span lang=en-SI><img width=893 height=248 style='width:9.3055in;height:2.5833in' id="_x0000_i1025" src="cid:image001.png@01DC3844.934C6060"><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>Vabimo vas na 2. predavanje iz sklopa »Kolokviji na IJS« v akademskem letu 2025/26, ki bo <b>v sredo, 15.</b> <b>oktobra 2025, ob 13:00</b> v Veliki predavalnici Instituta »Jožef Stefan« na Jamovi cesti 39 v Ljubljani. Predavanje bo <b>v angleščini</b>. Na voljo bodo kava, pijača in prigrizki.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=EN-US style='font-size:16.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>Načrtovanje funkcionalnih kovinsko-organskih ogrodij z računalniškim napovedovanjem kristalnih struktur<o:p></o:p></span></b></p><p class=MsoNormal><span lang=EN-US style='font-size:16.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><u><span lang=EN-US style='font-size:12.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>izr. prof. dr. Mihails Arhangelskis<o:p></o:p></span></u></b></p><p class=MsoNormal><i><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>Univerza v Varšavi, Varšava, Poljska</span></i><i><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p></o:p></span></i></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><a name="_Hlk210813982"><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>Kovinsko-organska ogrodja (MOF-i iz angleškega metal-organic frameworks) so zelo vsestranski materiali z različnimi funkcionalnimi aplikacijami, kot so na primer shranjevanje in ločevanje plinov, kataliza, čiščenje vode in zaznavanje.</span></a><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'> Načrtovanje novih MOF-ov je zahtevna naloga, ki je zelo odvisna od eksperimentalnega preverjanja strukturnih gradnikov in sinteznih pogojev. V predavanju bom predstavil alternativni pristop k načrtovanju MOF-ov, ki temelji na računalniškem napovedovanju kristalnih struktur. Prikazal bom uporabo tega pristopa pri dejanskem načrtovanju novih funkcionalnih MOF-ov s hipergoličnimi lastnostmi, ki so obetavni kandidati za raketna goriva prihodnje generacije. Predstavitev bom zaključil s prikazom uporabe metod strojnega učenja za hitrejše in obsežnejše računalniško načrtovanje novih MOF-ov.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>O predavatelju</span></b><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>: Mihails Arhangelskis je izredni profesor na Fakulteti za kemijo Univerze v Varšavi, kjer vodi raziskovalno skupino, ki se ukvarja z razvojem metod za računalniško načrtovanje organskih in kovinsko-organskih kristalnih materialov.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>Napovednik predavanja in posnetke preteklih predavanj najdete na <b>spletni strani »Kolokvijev na IJS«</b> </span><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><a href="https://kolokviji.ijs.si/"><span style='font-size:10.0pt;color:#0563C1'>https://kolokviji.ijs.si/</span></a></span><span lang=EN-US style='font-size:10.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>, posnetke pa tudi posebej na </span><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><a href="https://video.arnes.si/?q=Kolokviji_IJS"><span style='font-size:10.0pt;color:#0563C1'>https://video.arnes.si/?q=Kolokviji_IJS</span></a></span><span lang=EN-US style='font-size:10.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'> (zadnje štiri sezone) in </span><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><a href="http://videolectures.net/kolokviji_ijs"><span style='font-size:10.0pt;color:#0563C1'>http://videolectures.net/kolokviji_ijs</span></a></span><span lang=EN-US style='font-size:10.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'> (starejši).<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>______________<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>We invite you to the 2nd lecture in the framework of »JSI Colloquia« in the academic year 2025/26, which will take place on <b>Wednesday, October 15, 2025, at 1:00 PM</b> in the main lecture hall of Jožef Stefan Institute, Jamova cesta 39 in Ljubljana. The lecture will be held <b>in English</b>. Coffee, drinks and snacks will be available.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=EN-US style='font-size:16.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>Design of functional metal-organic frameworks through computational crystal structure prediction <o:p></o:p></span></b></p><p class=MsoNormal><span lang=EN-US style='font-size:16.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><u><span lang=EN-US style='font-size:12.0pt;font-family:"Calibri",sans-serif;mso-ligatures:none'>Assoc. Prof. Dr. Mihails Arhangelskis<o:p></o:p></span></u></b></p><p class=MsoNormal><i><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>University of Warsaw, Warsaw, Poland</span></i><i><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p></o:p></span></i></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>Metal-organic frameworks (MOFs) are highly versatile materials with diverse functional applications in gas storage and separation, catalysis, water purification and sensing, to name a few. The design of new MOFs is a challenging task, heavily reliant on experimental screening of structural building blocks and synthetic conditions. In this talk I will present an alternative approach to MOF design based on computational crystal structure prediction. I will demonstrate the application of this approach to a real-life design of new functional MOFs with hypergolic properties, which are promising candidates for next-generation rocket fuel materials. The presentation will conclude with the demonstration of the use of machine learning methods for making the computational design of new MOF materials faster and more extensive.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><b><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>About the lecturer</span></b><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'>: Mihails Arhangelskis is an associate professor at the Faculty of Chemistry, University of Warsaw, where he leads a research group engaged in the development of methods for computational design of organic and metal-organic crystalline materials.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-family:"Calibri",sans-serif;mso-ligatures:none'><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US style='font-size:10.0pt;mso-ligatures:none'>The lecture trailer and recordings of past lectures can be found on the <b>website of »JSI colloquia«</b></span><span lang=EN-US style='mso-ligatures:none'> <a href="https://kolokviji.ijs.si/"><span style='font-size:10.0pt;color:#0563C1'>https://kolokviji.ijs.si/</span></a></span><span lang=EN-US style='font-size:10.0pt;mso-ligatures:none'>, and recordings specifically at </span><span lang=EN-US style='mso-ligatures:none'><a href="https://video.arnes.si/en/?q=Kolokviji_IJS"><span style='font-size:10.0pt;color:#0563C1'>https://video.arnes.si/en/?q=Kolokviji_IJS</span></a></span><span lang=EN-US style='font-size:10.0pt;mso-ligatures:none'> (last four seasons) and </span><span lang=EN-US style='mso-ligatures:none'><a href="http://videolectures.net/kolokviji_ijs"><span style='font-size:10.0pt;color:#0563C1'>http://videolectures.net/kolokviji_ijs</span></a></span><span lang=EN-US style='font-size:10.0pt;mso-ligatures:none'> (older).</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p></div></body></html>