Symmetry in Crystal Structure Prediction – James Darby, CUED

When:
February 5, 2021 @ 2:00 pm – 2:30 pm
2021-02-05T14:00:00+00:00
2021-02-05T14:30:00+00:00
Where:
Zoom Meeting ID: 819 1682 8857
Contact:
Hilde Hambro

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. 

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