18 Publications
2023 | Conference Paper | LibreCat-ID: 30125 |
Schaller M, Worthmann K, Philipp F, Peitz S, Nüske F. Towards reliable data-based optimal and predictive control using extended DMD. In: IFAC-PapersOnLine. Vol 56. ; 2023:169-174. doi:10.1016/j.ifacol.2023.02.029
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| DOI
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| arXiv
2023 | Journal Article | LibreCat-ID: 23428 |
Nüske F, Peitz S, Philipp F, Schaller M, Worthmann K. Finite-data error bounds for Koopman-based prediction and control. Journal of Nonlinear Science. 2023;33. doi:10.1007/s00332-022-09862-1
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| Download (ext.)
2022 | Journal Article | LibreCat-ID: 29673 |
Klus S, Nüske F, Peitz S. Koopman analysis of quantum systems. Journal of Physics A: Mathematical and Theoretical. 2022;55(31):314002. doi:10.1088/1751-8121/ac7d22
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| arXiv
2021 | Journal Article | LibreCat-ID: 24169
Nüske F, Gelß P, Klus S, Clementi C. Tensor-based computation of metastable and coherent sets. Physica D: Nonlinear Phenomena. Published online 2021. doi:10.1016/j.physd.2021.133018
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24170
Klus S, Gelß P, Nüske F, Noé F. Symmetric and antisymmetric kernels for machine learning problems in quantum physics and chemistry. Machine Learning: Science and Technology. Published online 2021. doi:10.1088/2632-2153/ac14ad
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 21820 |
Nüske F, Koltai P, Boninsegna L, Clementi C. Spectral Properties of Effective Dynamics from Conditional Expectations. Entropy. 2021. doi:10.3390/e23020134
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2020 | Journal Article | LibreCat-ID: 21819 |
Klus S, Nüske F, Hamzi B. Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator. Entropy. 2020. doi:10.3390/e22070722
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| DOI
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2020 | Journal Article | LibreCat-ID: 16288
Klus S, Nüske F, Peitz S, Niemann J-H, Clementi C, Schütte C. Data-driven approximation of the Koopman generator: Model reduction, system identification, and control. Physica D: Nonlinear Phenomena. 2020;406. doi:10.1016/j.physd.2020.132416
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske F, Boninsegna L, Clementi C. Coarse-graining molecular systems by spectral matching. The Journal of Chemical Physics. 2019. doi:10.1063/1.5100131
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21940
Litzinger F, Boninsegna L, Wu H, et al. Rapid Calculation of Molecular Kinetics Using Compressed Sensing. Journal of Chemical Theory and Computation. 2018:2771-2783. doi:10.1021/acs.jctc.8b00089
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21941
Klus S, Nüske F, Koltai P, et al. Data-Driven Model Reduction and Transfer Operator Approximation. Journal of Nonlinear Science. 2018:985-1010. doi:10.1007/s00332-017-9437-7
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna L, Nüske F, Clementi C. Sparse learning of stochastic dynamical equations. The Journal of Chemical Physics. 2018. doi:10.1063/1.5018409
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21943
Hruska E, Abella JR, Nüske F, Kavraki LE, Clementi C. Quantitative comparison of adaptive sampling methods for protein dynamics. The Journal of Chemical Physics. 2018. doi:10.1063/1.5053582
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21938
Nüske F, Wu H, Prinz J-H, Wehmeyer C, Clementi C, Noé F. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias. The Journal of Chemical Physics. 2017. doi:10.1063/1.4976518
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21939
Wu H, Nüske F, Paul F, Klus S, Koltai P, Noé F. Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations. The Journal of Chemical Physics. 2017. doi:10.1063/1.4979344
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 21937
Nüske F, Schneider R, Vitalini F, Noé F. Variational tensor approach for approximating the rare-event kinetics of macromolecular systems. The Journal of Chemical Physics. 2016. doi:10.1063/1.4940774
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 21936
Nüske F, Keller BG, Pérez-Hernández G, Mey ASJS, Noé F. Variational Approach to Molecular Kinetics. Journal of Chemical Theory and Computation. 2014:1739-1752. doi:10.1021/ct4009156
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 21935
Noé F, Nüske F. A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems. Multiscale Modeling & Simulation. 2013:635-655. doi:10.1137/110858616
LibreCat
| DOI
18 Publications
2023 | Conference Paper | LibreCat-ID: 30125 |
Schaller M, Worthmann K, Philipp F, Peitz S, Nüske F. Towards reliable data-based optimal and predictive control using extended DMD. In: IFAC-PapersOnLine. Vol 56. ; 2023:169-174. doi:10.1016/j.ifacol.2023.02.029
LibreCat
| DOI
| Download (ext.)
| arXiv
2023 | Journal Article | LibreCat-ID: 23428 |
Nüske F, Peitz S, Philipp F, Schaller M, Worthmann K. Finite-data error bounds for Koopman-based prediction and control. Journal of Nonlinear Science. 2023;33. doi:10.1007/s00332-022-09862-1
LibreCat
| DOI
| Download (ext.)
2022 | Journal Article | LibreCat-ID: 29673 |
Klus S, Nüske F, Peitz S. Koopman analysis of quantum systems. Journal of Physics A: Mathematical and Theoretical. 2022;55(31):314002. doi:10.1088/1751-8121/ac7d22
LibreCat
| DOI
| Download (ext.)
| arXiv
2021 | Journal Article | LibreCat-ID: 24169
Nüske F, Gelß P, Klus S, Clementi C. Tensor-based computation of metastable and coherent sets. Physica D: Nonlinear Phenomena. Published online 2021. doi:10.1016/j.physd.2021.133018
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24170
Klus S, Gelß P, Nüske F, Noé F. Symmetric and antisymmetric kernels for machine learning problems in quantum physics and chemistry. Machine Learning: Science and Technology. Published online 2021. doi:10.1088/2632-2153/ac14ad
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 21820 |
Nüske F, Koltai P, Boninsegna L, Clementi C. Spectral Properties of Effective Dynamics from Conditional Expectations. Entropy. 2021. doi:10.3390/e23020134
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 21819 |
Klus S, Nüske F, Hamzi B. Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator. Entropy. 2020. doi:10.3390/e22070722
LibreCat
| DOI
| Download (ext.)
2020 | Journal Article | LibreCat-ID: 16288
Klus S, Nüske F, Peitz S, Niemann J-H, Clementi C, Schütte C. Data-driven approximation of the Koopman generator: Model reduction, system identification, and control. Physica D: Nonlinear Phenomena. 2020;406. doi:10.1016/j.physd.2020.132416
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske F, Boninsegna L, Clementi C. Coarse-graining molecular systems by spectral matching. The Journal of Chemical Physics. 2019. doi:10.1063/1.5100131
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21940
Litzinger F, Boninsegna L, Wu H, et al. Rapid Calculation of Molecular Kinetics Using Compressed Sensing. Journal of Chemical Theory and Computation. 2018:2771-2783. doi:10.1021/acs.jctc.8b00089
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21941
Klus S, Nüske F, Koltai P, et al. Data-Driven Model Reduction and Transfer Operator Approximation. Journal of Nonlinear Science. 2018:985-1010. doi:10.1007/s00332-017-9437-7
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna L, Nüske F, Clementi C. Sparse learning of stochastic dynamical equations. The Journal of Chemical Physics. 2018. doi:10.1063/1.5018409
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21943
Hruska E, Abella JR, Nüske F, Kavraki LE, Clementi C. Quantitative comparison of adaptive sampling methods for protein dynamics. The Journal of Chemical Physics. 2018. doi:10.1063/1.5053582
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21938
Nüske F, Wu H, Prinz J-H, Wehmeyer C, Clementi C, Noé F. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias. The Journal of Chemical Physics. 2017. doi:10.1063/1.4976518
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21939
Wu H, Nüske F, Paul F, Klus S, Koltai P, Noé F. Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations. The Journal of Chemical Physics. 2017. doi:10.1063/1.4979344
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 21937
Nüske F, Schneider R, Vitalini F, Noé F. Variational tensor approach for approximating the rare-event kinetics of macromolecular systems. The Journal of Chemical Physics. 2016. doi:10.1063/1.4940774
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 21936
Nüske F, Keller BG, Pérez-Hernández G, Mey ASJS, Noé F. Variational Approach to Molecular Kinetics. Journal of Chemical Theory and Computation. 2014:1739-1752. doi:10.1021/ct4009156
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 21935
Noé F, Nüske F. A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems. Multiscale Modeling & Simulation. 2013:635-655. doi:10.1137/110858616
LibreCat
| DOI