Jonas Köhler
Also known as Jonas Koehler
Jonas Köhler is a machine learning researcher whose work spans equivariant networks, normalizing flows and molecular simulation. While studying for a master's degree at the University of Amsterdam, he co-authored Spherical CNNs with Taco Cohen, Mario Geiger and Max Welling, which won the Best Paper Award at ICLR 2018. In 2019, Science published Boltzmann Generators, a method he co-authored with Frank Noé, Simon Olsson and Hao Wu as a PhD student at Freie Universität Berlin, and he went on to publish work on equivariant, stochastic and smooth normalizing flows. He was a Senior Researcher at Microsoft Research from 2023 to 2024. Since September 2024, he is a member of technical staff at CuspAI, the developer of the open-source kUPS simulation engine.
Timeline
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2014–2018
Studies in Weimar and Amsterdam
He studies applied computer science at Bauhaus-University Weimar from 2014 to 2016 for a B.Sc., then artificial intelligence at the University of Amsterdam from 2016 to 2018 for an M.Sc. In 2018, he is also a research intern at MPI-IS Tübingen.
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2018
A best paper at ICLR
With Taco Cohen, Mario Geiger and Max Welling, he co-authors Spherical CNNs, which introduces building blocks for convolutional networks that analyze spherical images, with uses such as omnidirectional vision for drones, robots and autonomous cars. The paper wins the Best Paper Award at ICLR 2018.
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2019
Boltzmann Generators in Science
In 2019, Science publishes Boltzmann Generators, which he co-authors with Frank Noé, Simon Olsson and Hao Wu at Freie Universität Berlin, where he has been a PhD student in applied mathematics since December 2018. The method uses neural networks to turn a complex equilibrium distribution into one that is easy to sample, and the university presents it as a fundamentally new solution to the sampling problem in statistical physics.
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2020
Equivariant and stochastic flows
In 2020, he co-authors Equivariant Flows with Leon Klein and Frank Noé for ICML; it shows that equivariant normalizing flows generate distributions that are invariant to the symmetries built into them. At NeurIPS 2020, Stochastic Normalizing Flows, written with Hao Wu and Noé, is a spotlight paper.
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2021
Smooth Normalizing Flows at NeurIPS
In 2021, he co-authors Smooth Normalizing Flows with Andreas Krämer and Frank Noé for NeurIPS; the flows allow training by force matching to simulation data and serve as potentials in molecular dynamics simulations. From September to December 2021, he is a research scientist intern at DeepMind.
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January 2023–September 2024
Senior Researcher at Microsoft Research
He joins Microsoft Research as a Senior Researcher in January 2023 and stays until September 2024. In 2023, he co-authors flow-matching with Yaoyi Chen, Andreas Krämer, Cecilia Clementi and Frank Noé, a training method for coarse-grained molecular force fields that uses normalizing flows and captures the folding and unfolding transitions of small proteins. It appears in the Journal of Chemical Theory and Computation.
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Since September 2024
Member of technical staff at CuspAI
In September 2024, he joins CuspAI as a member of technical staff. In June 2026, he is a speaker at the dida conference in Berlin, with a talk on kUPS, an open-source JAX-native simulation engine developed at CuspAI in which Monte Carlo, molecular dynamics and relaxation compose freely with classical or learned potentials.
Career
- Since 2024CuspAIMember of technical staff
- 2023–2024Microsoft ResearchSenior Researcher
- 2021Google DeepMindResearch scientist intern
- 2018Max Planck Institute for Intelligent SystemsResearch intern
Education
- 2018University of AmsterdamM.Sc.
- From 2018Freie Universität BerlinPhD
- 2016Bauhaus-Universität WeimarB.Sc.
Sources and credits
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- Jonas Köhler
- [1801.10130] Spherical CNNs
- 10 Cutting Edge Research Papers In Computer Vision & Image Generation
- [1812.01729] Boltzmann Generators -- Sampling Equilibrium States of Many-Body Systems with Deep Learning
- Artificial Intelligence for Physics Research • Information for Media and Journalists • Freie Universität Berlin
- Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities
- Smooth Normalizing Flows
- [2203.11167] Flow-matching -- efficient coarse-graining of molecular dynamics without forces
- dida conference 2026



