16 Publications

Mark all

[16]
2021 | Preprint | LibreCat-ID: 23428
Nüske, Feliks, Sebastian Peitz, Friedrich Philipp, Manuel Schaller, and Karl Worthmann. “Finite-Data Error Bounds for Koopman-Based Prediction and Control.” ArXiv:2108.07102, 2021.
LibreCat | Download (ext.)
 
[15]
2021 | Journal Article | LibreCat-ID: 24170
Klus, Stefan, Patrick Gelß, Feliks Nüske, and Frank Noé. “Symmetric and Antisymmetric Kernels for Machine Learning Problems in Quantum Physics and Chemistry.” Machine Learning: Science and Technology, 2021. https://doi.org/10.1088/2632-2153/ac14ad.
LibreCat | DOI
 
[14]
2021 | Journal Article | LibreCat-ID: 24169
Nüske, Feliks, Patrick Gelß, Stefan Klus, and Cecilia Clementi. “Tensor-Based Computation of Metastable and Coherent Sets.” Physica D: Nonlinear Phenomena, 2021. https://doi.org/10.1016/j.physd.2021.133018.
LibreCat | DOI
 
[13]
2021 | Journal Article | LibreCat-ID: 21820
Nüske, Feliks, Péter Koltai, Lorenzo Boninsegna, and Cecilia Clementi. “Spectral Properties of Effective Dynamics from Conditional Expectations.” Entropy, 2021. https://doi.org/10.3390/e23020134.
LibreCat | DOI | Download (ext.)
 
[12]
2020 | Journal Article | LibreCat-ID: 16288
Klus, Stefan, Feliks Nüske, Sebastian Peitz, Jan-Hendrik Niemann, Cecilia Clementi, and Christof Schütte. “Data-Driven Approximation of the Koopman Generator: Model Reduction, System Identification, and Control.” Physica D: Nonlinear Phenomena 406 (2020). https://doi.org/10.1016/j.physd.2020.132416.
LibreCat | DOI
 
[11]
2020 | Journal Article | LibreCat-ID: 21819
Klus, Stefan, Feliks Nüske, and Boumediene Hamzi. “Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator.” Entropy, 2020. https://doi.org/10.3390/e22070722.
LibreCat | DOI | Download (ext.)
 
[10]
2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, Lorenzo Boninsegna, and Cecilia Clementi. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 2019. https://doi.org/10.1063/1.5100131.
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 21941
Klus, Stefan, Feliks Nüske, Péter Koltai, Hao Wu, Ioannis Kevrekidis, Christof Schütte, and Frank Noé. “Data-Driven Model Reduction and Transfer Operator Approximation.” Journal of Nonlinear Science, 2018, 985–1010. https://doi.org/10.1007/s00332-017-9437-7.
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, Feliks Nüske, and Cecilia Clementi. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5018409.
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 21943
Hruska, Eugen, Jayvee R. Abella, Feliks Nüske, Lydia E. Kavraki, and Cecilia Clementi. “Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5053582.
LibreCat | DOI
 
[6]
2018 | Journal Article | LibreCat-ID: 21940
Litzinger, Florian, Lorenzo Boninsegna, Hao Wu, Feliks Nüske, Raajen Patel, Richard Baraniuk, Frank Noé, and Cecilia Clementi. “Rapid Calculation of Molecular Kinetics Using Compressed Sensing.” Journal of Chemical Theory and Computation, 2018, 2771–83. https://doi.org/10.1021/acs.jctc.8b00089.
LibreCat | DOI
 
[5]
2017 | Journal Article | LibreCat-ID: 21939
Wu, Hao, Feliks Nüske, Fabian Paul, Stefan Klus, Péter Koltai, and Frank Noé. “Variational Koopman Models: Slow Collective Variables and Molecular Kinetics from Short off-Equilibrium Simulations.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4979344.
LibreCat | DOI
 
[4]
2017 | Journal Article | LibreCat-ID: 21938
Nüske, Feliks, Hao Wu, Jan-Hendrik Prinz, Christoph Wehmeyer, Cecilia Clementi, and Frank Noé. “Markov State Models from Short Non-Equilibrium Simulations—Analysis and Correction of Estimation Bias.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4976518.
LibreCat | DOI
 
[3]
2016 | Journal Article | LibreCat-ID: 21937
Nüske, Feliks, Reinhold Schneider, Francesca Vitalini, and Frank Noé. “Variational Tensor Approach for Approximating the Rare-Event Kinetics of Macromolecular Systems.” The Journal of Chemical Physics, 2016. https://doi.org/10.1063/1.4940774.
LibreCat | DOI
 
[2]
2014 | Journal Article | LibreCat-ID: 21936
Nüske, Feliks, Bettina G. Keller, Guillermo Pérez-Hernández, Antonia S. J. S. Mey, and Frank Noé. “Variational Approach to Molecular Kinetics.” Journal of Chemical Theory and Computation, 2014, 1739–52. https://doi.org/10.1021/ct4009156.
LibreCat | DOI
 
[1]
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, 635–55. https://doi.org/10.1137/110858616.
LibreCat | DOI
 

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16 Publications

Mark all

[16]
2021 | Preprint | LibreCat-ID: 23428
Nüske, Feliks, Sebastian Peitz, Friedrich Philipp, Manuel Schaller, and Karl Worthmann. “Finite-Data Error Bounds for Koopman-Based Prediction and Control.” ArXiv:2108.07102, 2021.
LibreCat | Download (ext.)
 
[15]
2021 | Journal Article | LibreCat-ID: 24170
Klus, Stefan, Patrick Gelß, Feliks Nüske, and Frank Noé. “Symmetric and Antisymmetric Kernels for Machine Learning Problems in Quantum Physics and Chemistry.” Machine Learning: Science and Technology, 2021. https://doi.org/10.1088/2632-2153/ac14ad.
LibreCat | DOI
 
[14]
2021 | Journal Article | LibreCat-ID: 24169
Nüske, Feliks, Patrick Gelß, Stefan Klus, and Cecilia Clementi. “Tensor-Based Computation of Metastable and Coherent Sets.” Physica D: Nonlinear Phenomena, 2021. https://doi.org/10.1016/j.physd.2021.133018.
LibreCat | DOI
 
[13]
2021 | Journal Article | LibreCat-ID: 21820
Nüske, Feliks, Péter Koltai, Lorenzo Boninsegna, and Cecilia Clementi. “Spectral Properties of Effective Dynamics from Conditional Expectations.” Entropy, 2021. https://doi.org/10.3390/e23020134.
LibreCat | DOI | Download (ext.)
 
[12]
2020 | Journal Article | LibreCat-ID: 16288
Klus, Stefan, Feliks Nüske, Sebastian Peitz, Jan-Hendrik Niemann, Cecilia Clementi, and Christof Schütte. “Data-Driven Approximation of the Koopman Generator: Model Reduction, System Identification, and Control.” Physica D: Nonlinear Phenomena 406 (2020). https://doi.org/10.1016/j.physd.2020.132416.
LibreCat | DOI
 
[11]
2020 | Journal Article | LibreCat-ID: 21819
Klus, Stefan, Feliks Nüske, and Boumediene Hamzi. “Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator.” Entropy, 2020. https://doi.org/10.3390/e22070722.
LibreCat | DOI | Download (ext.)
 
[10]
2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, Lorenzo Boninsegna, and Cecilia Clementi. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 2019. https://doi.org/10.1063/1.5100131.
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 21941
Klus, Stefan, Feliks Nüske, Péter Koltai, Hao Wu, Ioannis Kevrekidis, Christof Schütte, and Frank Noé. “Data-Driven Model Reduction and Transfer Operator Approximation.” Journal of Nonlinear Science, 2018, 985–1010. https://doi.org/10.1007/s00332-017-9437-7.
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, Feliks Nüske, and Cecilia Clementi. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5018409.
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 21943
Hruska, Eugen, Jayvee R. Abella, Feliks Nüske, Lydia E. Kavraki, and Cecilia Clementi. “Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5053582.
LibreCat | DOI
 
[6]
2018 | Journal Article | LibreCat-ID: 21940
Litzinger, Florian, Lorenzo Boninsegna, Hao Wu, Feliks Nüske, Raajen Patel, Richard Baraniuk, Frank Noé, and Cecilia Clementi. “Rapid Calculation of Molecular Kinetics Using Compressed Sensing.” Journal of Chemical Theory and Computation, 2018, 2771–83. https://doi.org/10.1021/acs.jctc.8b00089.
LibreCat | DOI
 
[5]
2017 | Journal Article | LibreCat-ID: 21939
Wu, Hao, Feliks Nüske, Fabian Paul, Stefan Klus, Péter Koltai, and Frank Noé. “Variational Koopman Models: Slow Collective Variables and Molecular Kinetics from Short off-Equilibrium Simulations.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4979344.
LibreCat | DOI
 
[4]
2017 | Journal Article | LibreCat-ID: 21938
Nüske, Feliks, Hao Wu, Jan-Hendrik Prinz, Christoph Wehmeyer, Cecilia Clementi, and Frank Noé. “Markov State Models from Short Non-Equilibrium Simulations—Analysis and Correction of Estimation Bias.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4976518.
LibreCat | DOI
 
[3]
2016 | Journal Article | LibreCat-ID: 21937
Nüske, Feliks, Reinhold Schneider, Francesca Vitalini, and Frank Noé. “Variational Tensor Approach for Approximating the Rare-Event Kinetics of Macromolecular Systems.” The Journal of Chemical Physics, 2016. https://doi.org/10.1063/1.4940774.
LibreCat | DOI
 
[2]
2014 | Journal Article | LibreCat-ID: 21936
Nüske, Feliks, Bettina G. Keller, Guillermo Pérez-Hernández, Antonia S. J. S. Mey, and Frank Noé. “Variational Approach to Molecular Kinetics.” Journal of Chemical Theory and Computation, 2014, 1739–52. https://doi.org/10.1021/ct4009156.
LibreCat | DOI
 
[1]
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, 635–55. https://doi.org/10.1137/110858616.
LibreCat | DOI
 

Search

Filter Publications

Display / Sort

Citation Style: Chicago

Export / Embed