Frank Noe

Frank Noe

franknoe.bsky.social

Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social

👤 Joined on 14 November 2024

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📜 Kullanıcı Geçmişi

  • 14 Kas 2024, 06:38
    🎉 Bluesky'e katıldı - İlk kullanıcı adı: @franknoe.bsky.social

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❤️ Beğendiği Gönderiler

Ever get tired of tiny timesteps bottlenecking your MD simulations? We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. 𝗡𝗼 𝗿𝗲𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝘁𝗿𝗮𝗷𝗲𝗰𝘁𝗼𝗿𝗶𝗲𝘀, 𝗻𝗼 𝘂𝗻𝗿𝗼𝗹𝗹𝗶𝗻𝗴, 𝗻𝗼 𝘁𝗲𝗮𝗰𝗵𝗲𝗿 needed! 🧵👇

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(8/n) Done with a brilliant team: @plainer.bsky.social, @gregorlied.bsky.social, @thorbenfrank.bsky.social, Oliver Unke, Stefan Chmiela, @franknoe.bsky.social, and Klaus-Robert Müller.

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Excited to share our latest preprint: 𝗟𝗲𝗮𝗿𝗻𝗶𝗻𝗴 𝗛𝗮𝗺𝗶𝗹𝘁𝗼𝗻𝗶𝗮𝗻 𝗙𝗹𝗼𝘄 𝗠𝗮𝗽𝘀: 𝗠𝗲𝗮𝗻 𝗙𝗹𝗼𝘄 𝗖𝗼𝗻𝘀𝗶𝘀𝘁𝗲𝗻𝗰𝘆 𝗳𝗼𝗿 𝗟𝗮𝗿𝗴𝗲-𝗧𝗶𝗺𝗲𝘀𝘁𝗲𝗽 𝗠𝗼𝗹𝗲𝗰𝘂𝗹𝗮𝗿 𝗗𝘆𝗻𝗮𝗺𝗶𝗰𝘀 🎉

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Doesn’t look particularly wet to me.

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I hope that tonight nobody will notice the wrong sign in the Schrödinger equation. #Scienceball2026

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