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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Open Molecules 2025: Transforming Chemistry with AI-Ready Data

The scientific world is abuzz with the debut of Open Molecules 2025 (OMol25), a dataset poised to redefine what's possible in computational chemistry and artificial intelligence. Developed through a c...

AI models computational chemistry datasets DFT drug discovery machine learning materials science molecular simulation

May 17, 2025

0 6897

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