Microsoft Research

msftresearch.bsky.social

23 October 2025 15:57

Research is serious work, powered by real people. Get to know Director of Microsoft Research AI for Science Chris Bishop and learn what excites him beyond the lab.

Microsoft Research

msftresearch.bsky.social

09 October 2025 17:30

The wait is over! Microsoft Research is sharing Skala, the new exchange-correlation functional, marking a major milestone in the accuracy/cost trade-off in DFT. Help us learn from your testing so we can improve. Available on Azure AI Foundry and GitHub. msft.it/6016sFDLY

Paola Gori Giorgi

paolagorigiorgi.bsky.social

09 October 2025 17:30

Skala is now available to everyone! Why are we releasing it? Because we’re not just aiming to publish a cool paper — we’re on a mission to bring DFT to chemical accuracy using deep learning. And to make real progress, we need the community’s feedback. #compchem

Jan Hermann

hrmnn.net

09 October 2025 17:29

Our neural-network XC functional, Skala, is available in the cloud in Azure AI Foundry, on PyPI as an open-source Python package with hookups to PySCF and ASE, and via the C++ library GauXC for any third-party DFT code. If you find anything interesting about Skala, please let us know, we're curious!

Rocío Mercado Oropeza

rociomer.bsky.social

10 July 2025 21:27

Happy to share the AI for Accelerated Materials Design (AI4Mat) workshop was accepted at NeurIPS 2025, to be held Dec 6 or 7, 2025 in San Diego!!! 🥳🥳🥳 sites.google.com/view/ai4mat