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VERSION:2.0
PRODID:-//University of Liverpool Computer Science Seminar System//v2//EN
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DTSTAMP:20260922T052441Z
UID:Seminar-MIF-1350@lxserverM.csc.liv.ac.uk
ORGANIZER:CN=Othon Michail:MAILTO:Othon.Michail@liverpool.ac.uk
DTSTART:20190311T110000
DTEND:20190311T120000
SUMMARY:MIF Series
DESCRIPTION:Dmytro Antypov: Introduction to crystal structure prediction\n\nCrystalline solids such as metal oxides and perovskites are functional materials used in solar cells, batteries and many other devices. These materials are often composed from 3, 4 or 5 different chemical elements arranged in a periodic three dimensional structure. Such chemical diversity on the one hand allows for fine-tuning of material properties but on the other hand makes the identification and synthesis of stable compounds difficult. To accelerate the design of such materials we use computation to predict the combinations of the constituent chemical elements that will lead to stable crystalline structures. In this talk I will explain how this chemistry problem is formalised to have a tractable computational solution and show some examples.\n\nhttps://www.csc.liv.ac.uk/research/seminars/abstract.php?id=1350
LOCATION:3rd floor meeting room, MIF	
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