2 citations · 2 across the 5 of their papers we have counts for
5 papers
Numerical approximation of the Koopman-von Neumann equation: Operator learning and quantum computing
Stefan Klus, Feliks Nüske, Patrick Gelß
The Koopman-von Neumann equation describes the evolution of wavefunctions associated with autonomous ordinary differential equations and can be regarded as a quantum physics-inspir…
Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics
Selma Moqvist, Weilong Chen, Mathias Schreiner +2
Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In t…
Group-Convolutional Extended Dynamic Mode Decomposition
Hans Harder, Feliks Nüske, Friedrich M. Philipp +3
This paper explores the integration of symmetries into the Koopman-operator framework for the analysis and efficient learning of equivariant dynamical systems using a group-convolu…
Koopman-based Control for Stochastic Systems: Application to Enhanced Sampling
Lei Guo, Jan Heiland, Feliks Nüske
We present a data-driven approach to use the Koopman generator for prediction and optimal control of control-affine stochastic systems. We provide a novel conceptual approach and a…
Kinetically Consistent Coarse Graining using Kernel-based Extended Dynamic Mode Decomposition
Vahid Nateghi, Feliks Nüske
In this paper, we show how kernel-based models for the Koopman generator -- the gEDMD method -- can be used to identify coarse-grained dynamics on reduced variables, which retain t…