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Microsoft's Skala functional integrated into ORCA software

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.

Read on Mastodon — sigmoid.social →

AI-generated summary · Google Gemini · from 1 sources. How we write summaries →

Microsoft's Skala functional integrated into ORCA software

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COVERAGE [1]

  1. Mastodon — sigmoid.social TIER_1 English(EN) · [email protected] ·

    Skala, the machine-learned exchange-correlation functional from Microsoft Research, is coming to # ORCA and will be part of the next release. Many thanks to the

    Skala, the machine-learned exchange-correlation functional from Microsoft Research, is coming to # ORCA and will be part of the next release. Many thanks to the Microsoft team for their close support throughout the implementation. Stay tuned! More on Skala from Microsoft Research…