Random explorations of materials space

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• Chris Pickard, Department of Materials Science, The University of Cambridge
• Thursday 14 November 2019, 16:00-17:00
• Mott Seminar Room, Cavendish Laboratory.

If you have a question about this talk, please contact Stephen Walley.

Over the last decade, high pressure and materials research has been transformed by the ability to predict both the structures and properties of materials from first principles. This progress has been achieved through the combination of stochastic approaches, such as Ab Initio Random Structure Searching (AIRSS), with reliable and efficient first principles methods such as CASTEP . Diverse ensembles of initial structures are generated, then structurally optimized, and the resulting low energy structures are candidates for stable, and metastable, phases and/or defects and interfaces that might be experimentally realised.

This talk is part of the Physics and Chemistry of Solids Group series.

This talk is included in these lists:

• All Cavendish Laboratory Seminars
• All Talks (aka the CURE list)
• Centre for Health Leadership and Enterprise
• Featured lists
• ME Seminar
• Mott Seminar Room, Cavendish Laboratory
• Neurons, Fake News, DNA and your iPhone: The Mathematics of Information
• Physics and Chemistry of Solids Group
• School of Physical Sciences
• Thin Film Magnetic Talks

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