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VERSION:2.0
PRODID:-//University of Liverpool Computer Science Seminar System//v2//EN
BEGIN:VEVENT
DTSTAMP:20260625T105811Z
UID:Seminar-SIG-ML-488@lxserverM.csc.liv.ac.uk
ORGANIZER:CN=Othon Michail:MAILTO:Othon.Michail@liverpool.ac.uk
DTSTART:20180509T140000
DTEND:20180509T150000
SUMMARY:SIG-ML Series
DESCRIPTION:Dmytro Antypov: Computer science challenges in 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 how the speed and predictive power of the computations can benefit from the use of combinatorial, optimisation and machine learning techniques.\n\nhttps://www.csc.liv.ac.uk/research/seminars/abstract.php?id=488
LOCATION:GH2.23
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