Frist and shared first author publications

Timewarp: Transferable acceleration of molecular dynamics by learning time-coarsened dynamics [code (contributions not shown)][talk]
Leon Klein*, Andrew YK Foong*, Tor Erlend Fjelde*, Bruno Mlodozeniec*, Marc Brockschmidt, Sebastian Nowozin, Frank Noé, and Ryota Tomioka – *equal contribution
NeurIPS 2023 (spotlight).
Equivariant flow matching [code][talk]
Leon Klein, Andreas Krämer, and Frank Noé
NeurIPS 2023.
Temperature-steerable flows and Boltzmann generators [code]
Manuel Dibak*, Leon Klein*, Andreas Krämer, and Frank Noé – *equal contribution
In Phys. Rev. Research 4, L042005 – Published 10 October 2022.
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities [code]
Jonas Köhler*, Leon Klein*, and Frank Noé – *equal contribution
In International Conference on Machine Learning 2020 (ICML 2020)
Temperature-steerable flows [code]
Manuel Dibak*, Leon Klein*, and Frank Noé – *equal contribution
In NeurIPS 2020 Workshop on Machine Learning and the Physical Sciences.
Equivariant Flows: Sampling Configurations for Many-Body Systems with Symmetric Energies [code]
Jonas Köhler*, Leon Klein*, and Frank Noé – *equal contribution
In NeurIPS 2019 Workshop on Machine Learning and the Physical Sciences.