Symmetry in Crystal Structure Prediction

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• James Darby, CUED
• Friday 05 February 2021, 14:00-14:30
• Venue to be confirmed.

If you have a question about this talk, please contact Hilde Hambro.

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The aim of computational crystal structure prediction is to find the lowest energy periodic arrangement of a given set of building units. This talk will focus on how symmetry constraints can be applied when the building units are symmetric molecules and then move on to discuss how symmetry constraints can bias a search. 

This talk is part of the Engineering - Mechanics and Materials Seminar Series series.

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