ResearchMicrosoft Research· Sebastian Ehlert, Stefano Battaglia, Thijs Vogels, Jan Hermann, Jens Wehner, Giulia Luise, Klaas Giesbertz, Chin-Wei Huang, Aaron Kaplan, Kate Milton, Stephanie Marisa Lanius, Derk Kooi, P. Bernát Szabó, Gregor Simm, Rianne van den Berg, Paola Gori Giorgi·· 2026-08-21
Microsoft releases Skala 1.1 with 2.5× more training data; now integrated into CP2K
Broadening access to Skala creates a faster path to predictive DFT
What happened
Microsoft Research has released Skala 1.1, a deep-learning DFT functional trained on 2.5 times as much data as the previous public version. It ranks first in 32 of the 55 GMTKN55 benchmark categories, with a weighted mean error of 2.8 kcal/mol. The release is available in CP2K and is being integrated into Psi4, FHI-aims, ORCA, and VASP. Microsoft has also introduced a living benchmark that tracks computational performance across versions.
Microsoft / CopilotOpen sourceData and trainingPapers and research#Research#Open source#Data and training#Microsoft
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