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Skala 1.1, the updated deep-learning exchange-correlation functional from Microsoft Research, provides greater accuracy, expanded accessibility across the computational chemistry ecosystem, and a living benchmark to track computational performance.

Microsoft Research

554,914 subscribers

18,451 次观看 • 22 天前 •via X (Twitter)

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6 条评论

Love Web3 World 的头像

Love Web3 World21 天前

2.8 kcal/mol on GMTKN55 is a serious result but accessibility may matter even more. Skala 1.1 brings deep-learning DFT closer to everyday computational chemistry, with CP2K support available and broader integrations underway.

Mohammed Benaissa 的头像

Mohammed Benaissa21 天前

Can it predict good band gaps

Zohaib Ai 的头像

Zohaib Ai21 天前

Great advancement! 🧪 Skala 1.1 pushes computational chemistry forward.

Farrukh Masud 的头像

Farrukh Masud21 天前

Accessibility might end up mattering more than the accuracy gains. Getting these methods into the tools people already use (instead of staying stuck in research papers) is usually what determines whether something actually gets adopted. The living benchmark is a smart addition too.

Kelvin Tran 的头像

Kelvin Tran21 天前

Nghe hấp dẫn ghê, không biết bản này có chạy nhanh hơn bản cũ không nhỉ? 🧪

Fajar M Reza 的头像

Fajar M Reza21 天前

Living benchmarks matter when scientific models must improve beyond one static score.

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