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SUMMARY:Random explorations of materials space - Chris Pickard\, Departmen
 t of Materials Science\, The University of Cambridge
DTSTART:20191114T160000Z
DTEND:20191114T170000Z
UID:TALK127405@talks.cam.ac.uk
CONTACT:Stephen Walley
DESCRIPTION:Over the last decade\, high pressure and materials research ha
 s been transformed by the ability to predict both the structures and prope
 rties of materials from first principles. This progress has been achieved 
 through the combination of stochastic approaches\, such as Ab Initio Rando
 m Structure Searching (AIRSS)\, with reliable and efficient first principl
 es methods such as CASTEP. Diverse ensembles of initial structures are gen
 erated\, then structurally optimized\, and the resulting low energy struct
 ures are candidates for stable\, and metastable\, phases and/or defects an
 d interfaces that might be experimentally realised. 
LOCATION:Mott Seminar Room\, Cavendish Laboratory
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