18 Publications

Mark all

[18]
2022 | Preprint | LibreCat-ID: 30125 | OA
Guaranteed constraint satisfaction in Koopman-based optimal control
M. Schaller, K. Worthmann, F. Philipp, S. Peitz, F. Nüske, ArXiv:2202.09084 (2022).
LibreCat | Download (ext.) | arXiv
 
[17]
2022 | Journal Article | LibreCat-ID: 29673 | OA
Koopman analysis of quantum systems
S. Klus, F. Nüske, S. Peitz, Journal of Physics A: Mathematical and Theoretical 55 (2022) 314002.
LibreCat | DOI | Download (ext.) | arXiv
 
[16]
2021 | Journal Article | LibreCat-ID: 24169
Tensor-based computation of metastable and coherent sets
F. Nüske, P. Gelß, S. Klus, C. Clementi, Physica D: Nonlinear Phenomena (2021).
LibreCat | DOI
 
[15]
2021 | Journal Article | LibreCat-ID: 24170
Symmetric and antisymmetric kernels for machine learning problems in quantum physics and chemistry
S. Klus, P. Gelß, F. Nüske, F. Noé, Machine Learning: Science and Technology (2021).
LibreCat | DOI
 
[14]
2021 | Journal Article | LibreCat-ID: 21820 | OA
Spectral Properties of Effective Dynamics from Conditional Expectations
F. Nüske, P. Koltai, L. Boninsegna, C. Clementi, Entropy (2021).
LibreCat | DOI | Download (ext.)
 
[13]
2021 | Preprint | LibreCat-ID: 23428 | OA
Finite-data error bounds for Koopman-based prediction and control
F. Nüske, S. Peitz, F. Philipp, M. Schaller, K. Worthmann, ArXiv:2108.07102 (2021).
LibreCat | Download (ext.)
 
[12]
2020 | Journal Article | LibreCat-ID: 21819 | OA LibreCat | DOI | Download (ext.)
 
[11]
2020 | Journal Article | LibreCat-ID: 16288
Data-driven approximation of the Koopman generator: Model reduction, system identification, and control
S. Klus, F. Nüske, S. Peitz, J.-H. Niemann, C. Clementi, C. Schütte, Physica D: Nonlinear Phenomena 406 (2020).
LibreCat | DOI
 
[10]
2019 | Journal Article | LibreCat-ID: 21944
Coarse-graining molecular systems by spectral matching
F. Nüske, L. Boninsegna, C. Clementi, The Journal of Chemical Physics (2019).
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 21940
Rapid Calculation of Molecular Kinetics Using Compressed Sensing
F. Litzinger, L. Boninsegna, H. Wu, F. Nüske, R. Patel, R. Baraniuk, F. Noé, C. Clementi, Journal of Chemical Theory and Computation (2018) 2771–2783.
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 21941
Data-Driven Model Reduction and Transfer Operator Approximation
S. Klus, F. Nüske, P. Koltai, H. Wu, I. Kevrekidis, C. Schütte, F. Noé, Journal of Nonlinear Science (2018) 985–1010.
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 21942
Sparse learning of stochastic dynamical equations
L. Boninsegna, F. Nüske, C. Clementi, The Journal of Chemical Physics (2018).
LibreCat | DOI
 
[6]
2018 | Journal Article | LibreCat-ID: 21943
Quantitative comparison of adaptive sampling methods for protein dynamics
E. Hruska, J.R. Abella, F. Nüske, L.E. Kavraki, C. Clementi, The Journal of Chemical Physics (2018).
LibreCat | DOI
 
[5]
2017 | Journal Article | LibreCat-ID: 21938
Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias
F. Nüske, H. Wu, J.-H. Prinz, C. Wehmeyer, C. Clementi, F. Noé, The Journal of Chemical Physics (2017).
LibreCat | DOI
 
[4]
2017 | Journal Article | LibreCat-ID: 21939
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
H. Wu, F. Nüske, F. Paul, S. Klus, P. Koltai, F. Noé, The Journal of Chemical Physics (2017).
LibreCat | DOI
 
[3]
2016 | Journal Article | LibreCat-ID: 21937
Variational tensor approach for approximating the rare-event kinetics of macromolecular systems
F. Nüske, R. Schneider, F. Vitalini, F. Noé, The Journal of Chemical Physics (2016).
LibreCat | DOI
 
[2]
2014 | Journal Article | LibreCat-ID: 21936
Variational Approach to Molecular Kinetics
F. Nüske, B.G. Keller, G. Pérez-Hernández, A.S.J.S. Mey, F. Noé, Journal of Chemical Theory and Computation (2014) 1739–1752.
LibreCat | DOI
 
[1]
2013 | Journal Article | LibreCat-ID: 21935
A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems
F. Noé, F. Nüske, Multiscale Modeling & Simulation (2013) 635–655.
LibreCat | DOI
 

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18 Publications

Mark all

[18]
2022 | Preprint | LibreCat-ID: 30125 | OA
Guaranteed constraint satisfaction in Koopman-based optimal control
M. Schaller, K. Worthmann, F. Philipp, S. Peitz, F. Nüske, ArXiv:2202.09084 (2022).
LibreCat | Download (ext.) | arXiv
 
[17]
2022 | Journal Article | LibreCat-ID: 29673 | OA
Koopman analysis of quantum systems
S. Klus, F. Nüske, S. Peitz, Journal of Physics A: Mathematical and Theoretical 55 (2022) 314002.
LibreCat | DOI | Download (ext.) | arXiv
 
[16]
2021 | Journal Article | LibreCat-ID: 24169
Tensor-based computation of metastable and coherent sets
F. Nüske, P. Gelß, S. Klus, C. Clementi, Physica D: Nonlinear Phenomena (2021).
LibreCat | DOI
 
[15]
2021 | Journal Article | LibreCat-ID: 24170
Symmetric and antisymmetric kernels for machine learning problems in quantum physics and chemistry
S. Klus, P. Gelß, F. Nüske, F. Noé, Machine Learning: Science and Technology (2021).
LibreCat | DOI
 
[14]
2021 | Journal Article | LibreCat-ID: 21820 | OA
Spectral Properties of Effective Dynamics from Conditional Expectations
F. Nüske, P. Koltai, L. Boninsegna, C. Clementi, Entropy (2021).
LibreCat | DOI | Download (ext.)
 
[13]
2021 | Preprint | LibreCat-ID: 23428 | OA
Finite-data error bounds for Koopman-based prediction and control
F. Nüske, S. Peitz, F. Philipp, M. Schaller, K. Worthmann, ArXiv:2108.07102 (2021).
LibreCat | Download (ext.)
 
[12]
2020 | Journal Article | LibreCat-ID: 21819 | OA LibreCat | DOI | Download (ext.)
 
[11]
2020 | Journal Article | LibreCat-ID: 16288
Data-driven approximation of the Koopman generator: Model reduction, system identification, and control
S. Klus, F. Nüske, S. Peitz, J.-H. Niemann, C. Clementi, C. Schütte, Physica D: Nonlinear Phenomena 406 (2020).
LibreCat | DOI
 
[10]
2019 | Journal Article | LibreCat-ID: 21944
Coarse-graining molecular systems by spectral matching
F. Nüske, L. Boninsegna, C. Clementi, The Journal of Chemical Physics (2019).
LibreCat | DOI
 
[9]
2018 | Journal Article | LibreCat-ID: 21940
Rapid Calculation of Molecular Kinetics Using Compressed Sensing
F. Litzinger, L. Boninsegna, H. Wu, F. Nüske, R. Patel, R. Baraniuk, F. Noé, C. Clementi, Journal of Chemical Theory and Computation (2018) 2771–2783.
LibreCat | DOI
 
[8]
2018 | Journal Article | LibreCat-ID: 21941
Data-Driven Model Reduction and Transfer Operator Approximation
S. Klus, F. Nüske, P. Koltai, H. Wu, I. Kevrekidis, C. Schütte, F. Noé, Journal of Nonlinear Science (2018) 985–1010.
LibreCat | DOI
 
[7]
2018 | Journal Article | LibreCat-ID: 21942
Sparse learning of stochastic dynamical equations
L. Boninsegna, F. Nüske, C. Clementi, The Journal of Chemical Physics (2018).
LibreCat | DOI
 
[6]
2018 | Journal Article | LibreCat-ID: 21943
Quantitative comparison of adaptive sampling methods for protein dynamics
E. Hruska, J.R. Abella, F. Nüske, L.E. Kavraki, C. Clementi, The Journal of Chemical Physics (2018).
LibreCat | DOI
 
[5]
2017 | Journal Article | LibreCat-ID: 21938
Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias
F. Nüske, H. Wu, J.-H. Prinz, C. Wehmeyer, C. Clementi, F. Noé, The Journal of Chemical Physics (2017).
LibreCat | DOI
 
[4]
2017 | Journal Article | LibreCat-ID: 21939
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
H. Wu, F. Nüske, F. Paul, S. Klus, P. Koltai, F. Noé, The Journal of Chemical Physics (2017).
LibreCat | DOI
 
[3]
2016 | Journal Article | LibreCat-ID: 21937
Variational tensor approach for approximating the rare-event kinetics of macromolecular systems
F. Nüske, R. Schneider, F. Vitalini, F. Noé, The Journal of Chemical Physics (2016).
LibreCat | DOI
 
[2]
2014 | Journal Article | LibreCat-ID: 21936
Variational Approach to Molecular Kinetics
F. Nüske, B.G. Keller, G. Pérez-Hernández, A.S.J.S. Mey, F. Noé, Journal of Chemical Theory and Computation (2014) 1739–1752.
LibreCat | DOI
 
[1]
2013 | Journal Article | LibreCat-ID: 21935
A Variational Approach to Modeling Slow Processes in Stochastic Dynamical Systems
F. Noé, F. Nüske, Multiscale Modeling & Simulation (2013) 635–655.
LibreCat | DOI
 

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