Density Functional Theory
Advancing the frontier of quantum chemistry by combining deep learning with Density Functional Theory (DFT) to unlock unprecedented accuracy and scalability in electronic structure simulations.
Foundry Labs (opens in new tab)
Skala, Microsoft’s deep learning-based exchange-correlation functional for DFT, is available for experimentation through Foundry Labs. This allows users to experiment with the latest Skala models and workflows in a secure, cloud-based environment.
How to Access Skala in Foundry Labs
- Go to: https://labs.ai.azure.com/projects/skala/ (opens in new tab)
- Click on ‘Try Skala in Foundry Catalog’.
- Select ‘Use this model’.
- Create a new project to start using Skala.
GitHub Community Edition (opens in new tab)
The Skala Community Edition is the open, research-focused release of Microsoft’s deep learning-based exchange-correlation functional for density functional theory (DFT). It is designed to make Skala widely accessible to the scientific community for experimentation, research, and feedback.
How to Access Skala on GitHub
- Go to: https://github.com/microsoft/skala (opens in new tab)
- Follow the instructions in the README to set up and start using Skala.
You can find installation steps and documentation directly in the repository.
Work with us
Check out our open roles
