Density Functional Theory

Microsoft DFT Research Early Access Program (REAP)

Accelerate Innovation in Computational Chemistry with Microsoft AI for Science

The Microsoft DFT Research Early Access Program (REAP) is an exclusive initiative designed to empower select industry and academic partners to advance their computational chemistry research by giving them early access to Microsoft’s cutting-edge DFT models—such as the OneDFT Skala functional—via Azure AI Foundry. By joining REAP, participants gain privileged early access to new AI-driven DFT technology, direct collaboration with Microsoft Research, and the opportunity to shape the future of digital chemistry.

Participants benefit from white-glove onboarding, scoped pilots, and structured feedback loops, enabling them to integrate advanced DFT capabilities into their workflows while influencing future model development. For external collaborators, this means faster scientific validation and proof-of-concept wins; for Microsoft Research, it ensures market-fit validation, strategic feedback, and the cultivation of flagship use cases that can be showcased at events like Ignite and Davos.

Why Join REAP?

Early Access: Be among the first to explore and integrate the latest advancements in DFT modeling, with dedicated onboarding and support from Microsoft Research experts.

Collaborative Innovation: Work closely with Microsoft’s AI for Science team to apply the Skala functional to real-world challenges in life sciences, materials science, and drug discovery.

Influence Product Development: Provide structured feedback that directly informs Microsoft’s research roadmap, enabling us to develop Skala with the needs of industry and scientific community in mind.

Intellectual Property Protection: The program includes robust IP protection: Microsoft retains full ownership of the DFT models and Research API, while partners retain rights to their own model output data and improvements to their pre-existing work.