ShakeNBreak: Symmetry-Breaking and Reconstruction at Defects in Solids
Автор: Seán R. Kavanagh
Загружено: 2023-03-19
Просмотров: 672
Pre-recording of my talk 'Symmetry-Breaking and Reconstruction at Defects in Solids' at APS March 2023 in Las Vegas, USA – discussing the issue of global optimisation for defects in solids, its importance and our work (ShakeNBreak) on tackling this issue.
ShakeNBreak website: https://shakenbreak.readthedocs.io/en...
Our general defect calculation package doped is available here: https://doped.readthedocs.io
See our open-access papers on defect structure-searching here:
https://www.nature.com/articles/s4152...
https://joss.theoj.org/papers/10.2110...
Slides available here:
https://speakerdeck.com/kavanase/shak...
For other talks on YouTube, have a look at my channel!
For other research articles see:
https://bit.ly/3pBMxOG
Slides for my talks can be found here:
https://speakerdeck.com/kavanase
Other references:
Matter Preview of Defect Structure Searching: https://www.sciencedirect.com/science...
Metastable defects : https://doi.org/10.1039/D2FD00043A
Recombination at V_Cd in CdTe (case study): https://pubs.acs.org/doi/abs/10.1021/...
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