Frank Noé
Also known as Frank Noe
Frank Noé builds deep-learning models for molecular simulation, including Boltzmann generators and the BioEmu protein emulator. As of October 2026, he is a Partner Research Manager at Microsoft Research AI for Science in Berlin. Boltzmann generators, the method from a 2018 arXiv paper he co-authored, use neural networks to sample equilibrium states of many-body systems. Science published BioEmu in July 2025, a generative deep-learning system that he led. He was elected an American Physical Society Fellow in 2024, and the Theoretical Chemistry Institute at the University of Wisconsin–Madison awarded him the 2025–2026 Hirschfelder Prize in Theoretical Chemistry.
Timeline
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2012–2022
A professorship in Berlin
He becomes a professor at Freie Universität Berlin in 2012 and holds the post for ten years.
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2017
VAMPnets for molecular kinetics
He co-authors VAMPnets with Andreas Mardt, Luca Pasquali and Hao Wu, a deep learning framework for molecular kinetics. The arXiv preprint appears in 2017.
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2018
Boltzmann generators
Boltzmann Generators appear as an arXiv preprint in 2018, co-authored with Simon Olsson, Jonas Köhler and Hao Wu. The method uses neural networks to sample equilibrium states of many-body systems.
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2022
A Berlin lab at Microsoft
He joins Microsoft Research in 2022 to establish a Berlin-based lab for artificial intelligence research in the sciences.
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2024
An APS fellowship
The American Physical Society elects him a fellow in 2024 for his contribution to machine learning methods for advancing the physical sciences.
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July 2025
BioEmu in Science
He leads the research behind BioEmu, a generative deep-learning system that emulates the equilibrium behavior of proteins. Science publishes the study in July 2025.
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2025–2026
A Hirschfelder Prize
The Theoretical Chemistry Institute at the University of Wisconsin–Madison awards him the 2025–2026 Hirschfelder Prize in Theoretical Chemistry.
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As of October 2026
Partner research manager in Berlin
He is a Partner Research Manager in the Berlin/Germany team of Microsoft Research AI for Science. An Oxford lecture listing for June 2026 gives his affiliation as Freie Universität Berlin/Microsoft Research AI for Science, Berlin.
Sources and credits
Photo: microsoft.com; Frank Noé at Microsoft Research; creator not stated. License: Not stated by source. Source: microsoft.com. Cropped to a square and resized. Ask us to remove or replace this photo.
- Frank Noé: Molecular Science in the Age of AI | Bakar Institute of Digital Materials for the Planet
- Frank Noé Named American Physical Society Fellow • Information for Media and Journalists • Freie Universität Berlin
- [1710.06012] VAMPnets: Deep learning of molecular kinetics
- [1812.01729] Boltzmann Generators -- Sampling Equilibrium States of Many-Body Systems with Deep Learning
- New Study on Understanding How Proteins Function with Artificial Intelligence • Information for Media and Journalists • Freie Universität Berlin
- Dr. Frank Noé named 2025-2026 Joseph O. Hirschfelder Awardee by the Theoretical Chemistry Institute – Department of Chemistry – UW–Madison
- Frank Noé at Microsoft Research
- The Corcoran Memorial Prize Award & Lecture | Mathematical Institute