| 09/2024 - now: | Member of Technical Stuff at CuspAI | |
| 01/2023 - 09/2024: | Senior Researcher at Microsoft Research | |
| 12/2018 - now: | Ph.D. student in applied mathematics at Freie Universität Berlin | |
| 09/2021 - 12/2021: | Research Scientist Intern at DeepMind | |
| 09/2019 - 12/2019: | Visiting Researcher at IPAM, UCLA | |
| 01/2018 - 10/2018: | Research Intern at MPI-IS Tübingen | |
| 09/2016 - 12/2018: | M.Sc. Artificial Intelligence at University of Amsterdam | |
| 04/2014 - 08/2016: | B.Sc. Applied Computer Science at Bauhaus-University Weimar |
Highly Accurate Real-space Electron Densities with Neural Networks (2024)
Lixue Cheng, P Bernát Szabó, Zeno Schätzle, Derk P Kooi, Jonas Köhler, Klaas JH Giesbertz, Frank Noé, Jan Hermann, Paola Gori-Giorgi, Adam Foster
In J. Chem. Phys. 2024 (JCP)
Rigid body flows for sampling molecular crystal structures (2023)
Jonas Köhler*, Michele Invernizzi*, Pim de Haan, Frank Noé
In International Conference on Machine Learning 2023 (ICML 2023).
Flow-Matching: Efficient Coarse-Graining of Molecular Dynamics without Forces (2023)
Jonas Köhler*, Yaoyi Chen*, Andreas Krämer, Cecilia Clementi, Frank Noé
In J. Chem. Theory Comput. 2023, 19, 3, 942 - 952 (JCTC)
Smooth Normalizing Flows (2021)
Jonas Köhler*, Andreas Krämer*, Frank Noé
In Advances in Neural Information Processing Systems 2021 (NeurIPS 2021).
Generating stable molecules using imitation and reinforcement learning (2021)
Søren Ager Meldgaard, Jonas Köhler, Henrik Lund Mortensen, Mads-Peter V Christiansen, Frank Noé, Bjørk Hammer
In Machine Learning: Science and Technology 3.1 (2021): 015008. (MLST)
Stochastic Normalizing Flows (2020)
Hao Wu, Jonas Köhler, Frank Noé
In Advances in Neural Information Processing Systems 2020 (NeurIPS 2020). Spotlight.
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities (2020)
Jonas Köhler*, Leon Klein*, Frank Noé
In International Conference on Machine Learning 2020 (ICML 2020)
Boltzmann Generators: Sampling Equilibrium States of Many-Body Systems with Deep Learning (2019)
Frank Noé*, Simon Olsson*, Jonas Köhler*, Hao Wu
In Science 365.6457 (2019): eaaw1147
Spherical CNNs (2018)
Taco Cohen*, Mario Geiger*, Jonas Köhler*, Max Welling
In International Conference on Learning Representation 2018 (ICLR 2018). Best Paper Award.
Cross-Domain Mining of Argumentative Text through Distant Supervision (2016)
Khalid Al-Khatib, Henning Wachsmuth, Matthias Hagen, Jonas Köhler, Benno Stein
In Annual Conference of the North American Chapter of the Association for Computational Linguistics 2016 (NAACL-HLT 2016)..
Machine Learning Driven Simulations of SARS-CoV-2 Fitness Landscape (2024)
Aleksander EP Durumeric, Jonas Köhler, Katarina Elez, Luis Raich, Patricia A Suriana, Terra Sztain
In bioRxiv:10.1101/2024.09.20.614179.
Preserving Properties of Neural Networks by Perturbative Updates (2020)
Andreas Krämer, Jonas Köhler, Frank Noé.
In NeurIPS 2020 Workshop on Machine Learning and the Physical Sciences.
Stochastic Normalizing Flows (2020)
Hao Wu, Jonas Köhler, Frank Noé
In ICML 2020 Workshop on Invertible Neural Networks, Normalizing Flows, and Explicit Likelihood Models (INNF+ 2020).
Equivariant Flows: Sampling Configurations for Many-Body Systems with Symmetric Energies (2019)
Jonas Köhler*, Leon Klein*, Frank Noé
In NeurIPS 2019 Workshop on Machine Learning and the Physical Sciences.
DP-MAC: The Differentially Private Method of Auxiliary Coordinates for Deep Learning (2018)
Frederik Harder, Jonas Köhler, Mijung Park
In NeurIPS 2018 Workshop on Privacy Preserving Machine Learning (PPML 2018).
Convolutional Networks for Spherical Signals (2017)
Taco Cohen, Mario Geiger, Jonas Köhler, Max Welling
In ICML 2016 Workshop on Principled Approaches to Deep Learning (PADL 2017).
