Microsoft Research releases Skala 1.1 deep-learning DFT model
Skala 1.1 was trained on 2.5× more data than its predecessor, substantially improving accuracy in thermochemistry, reaction kinetics, and molecular structure prediction. It is now available in CP2K and being integrated into Psi4, FHI-aims, ORCA, and VASP, with a new living benchmark tracking performance.
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