Skala 1.1 achieves 2.8 kcal/mol error on GMTKN55, surpassing hybrid functionals at semi-local computational costs?

Skala 1.1 achieves 2.8 kcal/mol error on GMTKN55, surpassing hybrid functionals at semi-local computational costs.

Now integrated into CP2K and coming to Psi4, FHI-aims, ORCA, and VASP, broadening accessibility for chemists and material scientists?

Now integrated into CP2K and coming to Psi4, FHI-aims, ORCA, and VASP, broadening accessibility for chemists and material scientists.

Launches a living benchmark to track Skala’s performance, fostering community-driven optimization and transparency.

Research & Papers

Microsoft Research Blog August 20, 2026

⚡Skala 1.1 achieves 2.8 kcal/mol error on GMTKN55, beating hybrid functionals at semi-local costs...

Deep Dive

Key Points

Skala 1.1 achieves 2.8 kcal/mol error on GMTKN55, surpassing hybrid functionals at semi-local computational costs.
Now integrated into CP2K and coming to Psi4, FHI-aims, ORCA, and VASP, broadening accessibility for chemists and material scientists.
Launches a living benchmark to track Skala’s performance, fostering community-driven optimization and transparency.

Predictive DFT simulations just got faster and more accessible, accelerating drug discovery, materials science, and industrial R&D workflows.