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CASUS and Microsoft Research join forces
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Fusion42 · 21 August 2026 · Fusion42 review
Microsoft Research and the Center for Advanced Systems Understanding (CASUS) have integrated the AI-based Skala exchange-correlation functional into the CP2K software, enabling more accurate and efficient quantum mechanical simulations of larger molecular systems. This collaboration positions CP2K to support broader scientific research with enhanced AI-driven density functional theory calculations.
This Wire brief sits within Fusion42's coverage of AI Frontier Models and Quantum Computing.
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You can now deliver more accurate molecular simulations with less computing power thanks to Skala's AI model integrated into CP2K. This opens the door for your research or product to tackle bigger and more complex chemical systems sooner than before.
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1 source · 21 Aug 2026
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