Excited to be at ICML with @plainer.bsky.social & @gregorlied.bsky.social to present our 🌟 spotlight 🌟 paper on Hamiltonian Flow Maps for large-timestep molecular dynamics! Come say hi at our poster tomorrow or send us a message if you want to chat! 🤗 🗓️ July 8, 10:30 AM – 12:15 PM 📍 HALL A #1306
Winfried Ripken
@winfried-ripken.bsky.social
PhD Student @TU Berlin @BIFOLD working on ML applications for chemistry
Happy to present our work on Hamiltonian Flow Maps today at the AI4MAT Workshop at ICLR! Feel free to come by at 2.20pm in room 203C.
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! 🧵👇
I’m excited to be at NeurIPS 2025 next week and present our latest paper on molecular conformer generation! Huge thanks to my co-authors @thorbenfrank.bsky.social , Gregor Lied, Klaus-Robert Müller, Oliver Unke and Stefan Chmiela for an incredible collaboration. Supported by: @bifold.berlin