4 papers
Kernel-based approximation of the Koopman generator and Schrödinger operator
Stefan Klus, Feliks Nüske, Boumediene Hamzi
Many dimensionality and model reduction techniques rely on estimating dominant eigenfunctions of associated dynamical operators from data. Important examples include the Koopman op…
Coarse-graining Molecular Systems by Spectral Matching
Feliks Nüske, Lorenzo Boninsegna, Cecilia Clementi
Coarse-graining has become an area of tremendous importance within many different research fields. For molecular simulation, coarse-graining bears the promise of finding simplified…
Spectral Properties of Effective Dynamics from Conditional Expectations
Feliks Nüske, Péter Koltai, Lorenzo Boninsegna +1
The reduction of high-dimensional systems to effective models on a smaller set of variables is an essential task in many areas of science. For stochastic dynamics governed by diffu…
A variational approach to modeling slow processes in stochastic dynamical systems
Frank Noé, Feliks Nüske
The slow processes of metastable stochastic dynamical systems are difficult to access by direct numerical simulation due the sampling problem. Here, we suggest an approach for mode…