News | Joshua Berkowitz

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Skala: The Deep Learning Breakthrough Accelerating Computational Chemistry

What if you could forecast chemical reactions and design new materials with laboratory-level precision, all without setting foot in a lab? Skala, a revolutionary deep-learning-based exchange-correlati...

AI for Science Azure AI computational chemistry deep learning density functional theory Microsoft Research molecular simulation

Oct 13, 2025

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Deep Learning is Revolutionizing Computational Chemistry at Microsoft

Thanks to recent breakthroughs at Microsoft Research , scientists may be able to forecast the properties of new molecules with laboratory-level accuracy, all from behind a computer screen. By marrying...

AI research computational chemistry deep learning density functional theory machine learning materials science molecular modeling

Jun 29, 2025

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