Microsoft researchers achieved a breakthrough in the accuracy of DFT, a method for predicting the properties of molecules and materials, by using deep learning. This work can lead to better batteries, green fertilizers, precision drug discovery, and more. msft.it/6011SQwKX

We're excited to reveal this major advance in computational chemistry, an AI model called Skala Microsoft Research for the exchange-correlation functional, accurate enough, and super fast, for precise in silico predictions of chemical experiments. An early access program is now open.

🚀 After two years of intense research, we’re thrilled to introduce Skala — a scalable DL density functional that hits chemical accuracy on atomization energies and matches hybrid-level performance on main group chemistry — all at the cost of a semi-local functional. ⚛️🔥🧪⚗️🧬

Extremely excited to be sharing the output of my internship in Microsoft Research's #AIForScience team: "Understanding multi-fidelity training of machine-learned force-fields" 🤖🧪

Microsoft Research invites organizations of all sizes to join the DFT Research Early Access Program to explore the potential of our new Skala functional and accelerate innovation across industries through faster and more accurate density functional theory. msft.it/6012SFjGr

Today in the journal Science: BioEmu from Microsoft Research AI for Science. This generative deep learning method emulates protein equilibrium ensembles – key for understanding protein function at scale. msft.it/6010S7T8n

BioEmu now published in Science Magazine !! What is BioEmu? Check out this video: youtu.be/LStKhWcL0VE?si…

Researchers have developed a #DeepLearning system called BioEmu that rapidly generates diverse protein conformations, enabling fast, accurate insights into protein flexibility and function. Learn more this week in Science: scim.ag/41rCpxZ