Skala, a machine-learned exchange-correlation functional developed by Microsoft Research, is being integrated into the ORCA computational chemistry software. This integration will be included in the upcoming release of ORCA, following close support from the Microsoft team. Skala aims to accelerate predictive density functional theory (DFT) calculations. AI
IMPACT Enhances computational chemistry tools with machine learning for faster predictive calculations.
RANK_REASON Integration of a specific ML functional into existing scientific software.
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