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Kernel-Based Approximation of the Koopman Generator and Schrödinger Operator.
Entropy (Basel). 2020 Jun 30;22(7):722. doi: 10.3390/e22070722.
Entropy (Basel). 2020.
PMID: 33286494
Free PMC article.
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.
Wu H, Nüske F, Paul F, Klus S, Koltai P, Noé F.
Wu H, et al. Among authors: klus s.
J Chem Phys. 2017 Apr 21;146(15):154104. doi: 10.1063/1.4979344.
J Chem Phys. 2017.
PMID: 28433026
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Data-driven model reduction of agent-based systems using the Koopman generator.
Niemann JH, Klus S, Schütte C.
Niemann JH, et al. Among authors: klus s.
PLoS One. 2021 May 13;16(5):e0250970. doi: 10.1371/journal.pone.0250970. eCollection 2021.
PLoS One. 2021.
PMID: 33984008
Free PMC article.
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Efficient approximation of molecular kinetics using random Fourier features.
Nüske F, Klus S.
Nüske F, et al. Among authors: klus s.
J Chem Phys. 2023 Aug 21;159(7):074105. doi: 10.1063/5.0162619.
J Chem Phys. 2023.
PMID: 37594070
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A kernel-based approach to molecular conformation analysis.
Klus S, Bittracher A, Schuster I, Schütte C.
Klus S, et al.
J Chem Phys. 2018 Dec 28;149(24):244109. doi: 10.1063/1.5063533.
J Chem Phys. 2018.
PMID: 30599717
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Kernel methods for detecting coherent structures in dynamical data.
Klus S, Husic BE, Mollenhauer M, Noé F.
Klus S, et al.
Chaos. 2019 Dec;29(12):123112. doi: 10.1063/1.5100267.
Chaos. 2019.
PMID: 31893642
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Transition Manifolds of Complex Metastable Systems: Theory and Data-Driven Computation of Effective Dynamics.
Bittracher A, Koltai P, Klus S, Banisch R, Dellnitz M, Schütte C.
Bittracher A, et al. Among authors: klus s.
J Nonlinear Sci. 2018;28(2):471-512. doi: 10.1007/s00332-017-9415-0. Epub 2017 Oct 12.
J Nonlinear Sci. 2018.
PMID: 29527099
Free PMC article.
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