18 Publications
2023 | Conference Paper | LibreCat-ID: 30125 |

Schaller, Manuel, et al. “Towards Reliable Data-Based Optimal and Predictive Control Using Extended DMD.” IFAC-PapersOnLine, vol. 56, no. 1, 2023, pp. 169–74, doi:10.1016/j.ifacol.2023.02.029.
LibreCat
| DOI
| Download (ext.)
| arXiv
2023 | Journal Article | LibreCat-ID: 23428 |

Nüske, Feliks, et al. “Finite-Data Error Bounds for Koopman-Based Prediction and Control.” Journal of Nonlinear Science, vol. 33, 14, 2023, doi:10.1007/s00332-022-09862-1.
LibreCat
| DOI
| Download (ext.)
2022 | Journal Article | LibreCat-ID: 29673 |

Klus, Stefan, et al. “Koopman Analysis of Quantum Systems.” Journal of Physics A: Mathematical and Theoretical, vol. 55, no. 31, IOP Publishing Ltd., 2022, p. 314002, doi:10.1088/1751-8121/ac7d22.
LibreCat
| DOI
| Download (ext.)
| arXiv
2021 | Journal Article | LibreCat-ID: 24169
Nüske, Feliks, et al. “Tensor-Based Computation of Metastable and Coherent Sets.” Physica D: Nonlinear Phenomena, 133018, 2021, doi:10.1016/j.physd.2021.133018.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24170
Klus, Stefan, et al. “Symmetric and Antisymmetric Kernels for Machine Learning Problems in Quantum Physics and Chemistry.” Machine Learning: Science and Technology, 045016, 2021, doi:10.1088/2632-2153/ac14ad.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 21820 |

Nüske, Feliks, et al. “Spectral Properties of Effective Dynamics from Conditional Expectations.” Entropy, 134, 2021, doi:10.3390/e23020134.
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 21819 |

Klus, Stefan, et al. “Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator.” Entropy, 722, 2020, doi:10.3390/e22070722.
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 16288
Klus, Stefan, et al. “Data-Driven Approximation of the Koopman Generator: Model Reduction, System Identification, and Control.” Physica D: Nonlinear Phenomena, vol. 406, 132416, 2020, doi:10.1016/j.physd.2020.132416.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, et al. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 044116, 2019, doi:10.1063/1.5100131.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21940
Litzinger, Florian, et al. “Rapid Calculation of Molecular Kinetics Using Compressed Sensing.” Journal of Chemical Theory and Computation, 2018, pp. 2771–83, doi:10.1021/acs.jctc.8b00089.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21941
Klus, Stefan, et al. “Data-Driven Model Reduction and Transfer Operator Approximation.” Journal of Nonlinear Science, 2018, pp. 985–1010, doi:10.1007/s00332-017-9437-7.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, et al. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 241723, 2018, doi:10.1063/1.5018409.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21943
Hruska, Eugen, et al. “Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics.” The Journal of Chemical Physics, 244119, 2018, doi:10.1063/1.5053582.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21938
Nüske, Feliks, et al. “Markov State Models from Short Non-Equilibrium Simulations—Analysis and Correction of Estimation Bias.” The Journal of Chemical Physics, 094104, 2017, doi:10.1063/1.4976518.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21939
Wu, Hao, et al. “Variational Koopman Models: Slow Collective Variables and Molecular Kinetics from Short off-Equilibrium Simulations.” The Journal of Chemical Physics, 154104, 2017, doi:10.1063/1.4979344.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 21937
Nüske, Feliks, et al. “Variational Tensor Approach for Approximating the Rare-Event Kinetics of Macromolecular Systems.” The Journal of Chemical Physics, 054105, 2016, doi:10.1063/1.4940774.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 21936
Nüske, Feliks, et al. “Variational Approach to Molecular Kinetics.” Journal of Chemical Theory and Computation, 2014, pp. 1739–52, doi:10.1021/ct4009156.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 21935
Noé, Frank, and Feliks Nüske. “A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems.” Multiscale Modeling & Simulation, 2013, pp. 635–55, doi:10.1137/110858616.
LibreCat
| DOI
18 Publications
2023 | Conference Paper | LibreCat-ID: 30125 |

Schaller, Manuel, et al. “Towards Reliable Data-Based Optimal and Predictive Control Using Extended DMD.” IFAC-PapersOnLine, vol. 56, no. 1, 2023, pp. 169–74, doi:10.1016/j.ifacol.2023.02.029.
LibreCat
| DOI
| Download (ext.)
| arXiv
2023 | Journal Article | LibreCat-ID: 23428 |

Nüske, Feliks, et al. “Finite-Data Error Bounds for Koopman-Based Prediction and Control.” Journal of Nonlinear Science, vol. 33, 14, 2023, doi:10.1007/s00332-022-09862-1.
LibreCat
| DOI
| Download (ext.)
2022 | Journal Article | LibreCat-ID: 29673 |

Klus, Stefan, et al. “Koopman Analysis of Quantum Systems.” Journal of Physics A: Mathematical and Theoretical, vol. 55, no. 31, IOP Publishing Ltd., 2022, p. 314002, doi:10.1088/1751-8121/ac7d22.
LibreCat
| DOI
| Download (ext.)
| arXiv
2021 | Journal Article | LibreCat-ID: 24169
Nüske, Feliks, et al. “Tensor-Based Computation of Metastable and Coherent Sets.” Physica D: Nonlinear Phenomena, 133018, 2021, doi:10.1016/j.physd.2021.133018.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24170
Klus, Stefan, et al. “Symmetric and Antisymmetric Kernels for Machine Learning Problems in Quantum Physics and Chemistry.” Machine Learning: Science and Technology, 045016, 2021, doi:10.1088/2632-2153/ac14ad.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 21820 |

Nüske, Feliks, et al. “Spectral Properties of Effective Dynamics from Conditional Expectations.” Entropy, 134, 2021, doi:10.3390/e23020134.
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 21819 |

Klus, Stefan, et al. “Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator.” Entropy, 722, 2020, doi:10.3390/e22070722.
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 16288
Klus, Stefan, et al. “Data-Driven Approximation of the Koopman Generator: Model Reduction, System Identification, and Control.” Physica D: Nonlinear Phenomena, vol. 406, 132416, 2020, doi:10.1016/j.physd.2020.132416.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, et al. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 044116, 2019, doi:10.1063/1.5100131.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21940
Litzinger, Florian, et al. “Rapid Calculation of Molecular Kinetics Using Compressed Sensing.” Journal of Chemical Theory and Computation, 2018, pp. 2771–83, doi:10.1021/acs.jctc.8b00089.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21941
Klus, Stefan, et al. “Data-Driven Model Reduction and Transfer Operator Approximation.” Journal of Nonlinear Science, 2018, pp. 985–1010, doi:10.1007/s00332-017-9437-7.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, et al. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 241723, 2018, doi:10.1063/1.5018409.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21943
Hruska, Eugen, et al. “Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics.” The Journal of Chemical Physics, 244119, 2018, doi:10.1063/1.5053582.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21938
Nüske, Feliks, et al. “Markov State Models from Short Non-Equilibrium Simulations—Analysis and Correction of Estimation Bias.” The Journal of Chemical Physics, 094104, 2017, doi:10.1063/1.4976518.
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21939
Wu, Hao, et al. “Variational Koopman Models: Slow Collective Variables and Molecular Kinetics from Short off-Equilibrium Simulations.” The Journal of Chemical Physics, 154104, 2017, doi:10.1063/1.4979344.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 21937
Nüske, Feliks, et al. “Variational Tensor Approach for Approximating the Rare-Event Kinetics of Macromolecular Systems.” The Journal of Chemical Physics, 054105, 2016, doi:10.1063/1.4940774.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 21936
Nüske, Feliks, et al. “Variational Approach to Molecular Kinetics.” Journal of Chemical Theory and Computation, 2014, pp. 1739–52, doi:10.1021/ct4009156.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 21935
Noé, Frank, and Feliks Nüske. “A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems.” Multiscale Modeling & Simulation, 2013, pp. 635–55, doi:10.1137/110858616.
LibreCat
| DOI