Machine-learning potential for silver sulfide: From CHGNet pretraining to DFT-refined phase stability

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Most of the algorithms described here are quite straightforward to implement. Some of them can be written in just a few lines of code, and those that require a bit more effort can be better understood by reading through the relevant papers and links I have provided. The exception to this are those that rely on the Delaunay triangulation to work. Robust Delaunay triangulations in 3D are fairly complex and there isn’t any publicly available software that I’m aware of that leverages them for dithering in the way I’ve described.

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