Publications of Feliks Nüske

Moqvist, S.; Chen, W.; Schreiner, M.; Nüske, F.; Olsson, S.: Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics. Journal of Chemical Theory and Computation 21 (5), pp. 2535 - 2545 (2025)

Peitz, S.; Harder, H.; Nüske, F.; Philipp, F.; Schaller, M.; Worthmann, K.: Equivariance and partial observations in Koopman operator theory for partial differential equations. Journal of Computational Dynamics 12 (2), pp. 305 - 324 (2025)

Philipp, F.; Schaller, M.; Worthmann, K.; Peitz, S.; Nüske, F.: Error bounds for kernel-based approximations of the Koopman operator. Applied and Computational Harmonic Analysis 71, 101657 (2024)

Nüske, F.; Klus, S.: Efficient Approximation of Molecular Kinetics using Random Fourier Features. The Journal of Chemical Physics 159 (7), 074105 (2023)

Nüske, F.; Peitz, S.; Philipp, F.; Schaller, M.; Worthmann, K.: Finite-data error bounds for Koopman-based prediction and control. Journal of Nonlinear Science 33, 14 (2023)

Yang, W.; Templeton, C.; Rosenberger, D.; Bittracher, A.; Nüske, F.; Noé, F.; Clementi, C.: Slicing and Dicing: Optimal Coarse-Grained Representation to Preserve Molecular Kinetics. ACS Central Science 9 (2), pp. 186 - 196 (2023)

Klus, S.; Nüske, F.; Peitz, S.: Koopman analysis of quantum systems. Journal of Physics A 55, 314002 (2022)

Lücke, M.; Nüske, F.: tgEDMD: Approximation of the Kolmogorov Operator in Tensor Train Format. Journal of Nonlinear Science 32, 44 (2022)

Guo, L.; Heiland, J.; Nüske, F.: Koopman-based Control for Stochastic Systems: Application to Enhanced Sampling. 11th Vienna International Conference on Mathematical Modelling MATHMOD 2025 , Vienna, Austria, February 19, 2025 - February 21, 2025. IFAC-PapersOnLine 59 (1), pp. 283 - 288 (2025)

Cao, S.; Nüske, F.; Liu, B.; Soley, M.; Huang, X.: AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics. (2025)

Harder, H.; Peitz, S.; Nüske, F.; Philipp, F. M.; Schaller, M.; Worthmann, K.: Group-Convolutional Extended Dynamic Mode Decomposition. (2024)

Nateghi, V.; Nüske, F.: Kinetically Consistent Coarse Graining using Kernel-based Extended Dynamic Mode Decomposition. (2024)

Philipp, F. M.; Schaller, M.; Boshoff, S.; Peitz, S.; Nüske, F.; Worthmann, K.: Extended Dynamic Mode Decomposition: Sharp bounds on the sample efficiency. (2024)

Philipp, F.; Schaller, M.; Worthmann, K.; Peitz, S.; Nüske, F.: Error analysis of kernel EDMD for prediction and control in the Koopman framework. (2023)