Drive an ambitious, high-impact, research agenda on machine learning for materials. Develop efficient and expressive machine learning models that address fundamental materials science problems. Work w...

Design and scale experimental datasets for ML Develop workflows that connect noisy experimental signals to actionable model insights 1. Bridging Models with Real-World Experimental Signals Develop met...

Skala exchange-correlation functional. Contribute to microsoft/skala development by creating an account on GitHub.

Invent novel deep learning techniques for models of (bio)molecular structure, dynamics, reactivity and function. Design, implement, and iterate on model architectures and training algorithms (e.g., di...

Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system that...

Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system that...

Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system that...

Reliable description of bond breaking remains a major challenge for quantum chemistry due to the multireferential character of the electronic structure in dissociating species. Multireferential method...

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,...

Aurora, a new large-scale foundation model trained on more than one million hours of diverse geophysical data, outperforms operational forecasts in predicting air quality, ocean wave dynamics, tropica...

Build your deck and strategize to defeat foes as you traverse videogame worlds. Choose between 3 unique starting genres, and combine them to create unstoppable combos! Five more minutes is a love lett...

Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning - microsoft/bioemu