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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.

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Microsoft Research

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18,451 views • 22 days ago •via X (Twitter)

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Love Web3 World21 days ago

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's profile picture
Mohammed Benaissa21 days ago

Can it predict good band gaps

Zohaib Ai's profile picture
Zohaib Ai21 days ago

Great advancement! 🧪 Skala 1.1 pushes computational chemistry forward.

Farrukh Masud's profile picture
Farrukh Masud21 days ago

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's profile picture
Kelvin Tran21 days ago

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

Fajar M Reza's profile picture
Fajar M Reza21 days ago

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

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