Adding to that literature list a bit outside :

Merchant, A., Batzner, S., Schoenholz, S.S. et al. 

Quote:

"... we show that graph networks trained at scale can reach unprecedented 
levels of generalization, improving the efficiency of materials discovery by an 
order of magnitude. "

Scaling deep learning for materials discovery. 

Nature (2023), November

https://doi.org/10.1038/s41586-023-06735-9


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