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Preprints

  1. On finding optimal collective variables for complex systems by minimizing the deviation between effective and full dynamics (with C. Schütte), 2024. arxiv

Refereed journal articles

  1. Analyzing multimodal probability measures with autoencoders (with T. Lelièvre and T. Pigeon and G. Stoltz), J. Phys. Chem. B, 2024. doi arxiv
  2. EPR-Net: Constructing non-equilibrium potential landscape via a variational force projection formulation (with Y. Zhao and T. Li), Natl. Sci. Rev. 2024. accepted. doi arxiv code
  3. Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics (with C. Schütte), Proc. Appl. Math. Mech., 23, e202300189, 2023. doi (extended version on arxiv)
  4. Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks (with T. Li and C. Schütte), J. Comput. Phys., 465, 111377, 2022.   doi arxiv
  5. Multiple projection MCMC algorithms on submanifolds (with T. Lelièvre and G. Stoltz), IMA J. Numer. Anal. 43(2), pp. 737-788, 2023.   doi arxiv code
  6. Non-reversible sampling schemes on submanifolds (with U. Sharma), Siam J. Numer. Anal., 59(6), pp. 2989-3031, 2021.   doi arxiv
  7. Some new results on relative entropy production, time reversal, and optimal control of time-inhomogeneous diffusion processes, J. Math. Phys. 62(4), 043302, 2021.   doi arxiv
  8. Ergodic SDEs on submanifolds and related numerical sampling schemes, ESAIM:M2AN, 54(2), pp. 391-430, 2020.   doi arxiv code
  9. Learning chemical reaction networks from trajectory data (with S. Klus, T. Conrad, C. Schütte), Siam J. Appl. Dyn. Syst., 18(4), pp. 2000-2046, 2019.   doi arxiv code
  10. Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates (with T. Lelièvre), Multiscale Model. Simul., 17(3), pp. 1019-1051, 2019. doi arxiv
  11. Jarzynski equality, fluctuation theorem, and variance reduction: Mathematical analysis and numerical algorithms (with C. Hartmann and C. Schütte), J. Stat. Phys., 175(6), pp. 1214-1261, 2019. doi arxiv
  12. Statistical analysis of the first passage path ensemble of jump processes (with M. von Kleist and C. Schütte), J. Stat. Phys., 170(4), pp. 809-843, 2018. doi arxiv
  13. Optimal control of Markov jump processes : asymptotic analysis, algorithms, and application to modelling of chemical reaction systems (with C. Hartmann and M. von Kleist), Commun. Math. Sci., Vol.16, No.2, pp. 293-331, 2018.   doi arxiv
  14. Importance sampling in path space for diffusion processes with slow-fast variables (with C. Hartmann, C. Schütte and M. Weber), Probab. Theory Related Fields, 170(1), pp.177-228, 2018.   doi arxiv
  15. Variational characterization of free energy: Theory and algorithms (with C. Hartmann, L. Richter, C. Schütte), Entropy 2017, 19(11), 626. doi
  16. Reliable approximation of long relaxation timescales in molecular dynamics (with C. Schütte), Entropy 2017, 19(7), 367. doi
  17. Effective dynamics along given reaction coordinates, and reaction rate theory (with C. Hartmann and C. Schütte), Faraday Discuss., 2016, Vol.195, pp.365-394. doi
  18. Model reduction algorithms for optimal control and importance sampling of diffusions (with C. Hartmann and C. Schütte), Nonlinearity Vol.29, No.8, pp.2298-2326, 2016.   doi
  19. Applications of the cross-entropy method to importance sampling and optimal control of diffusions (with H. Wang, C. Hartmann, M. Weber and C. Schütte), Siam. J. Sci. Comput. Vol.36, No.6, pp. A2654-A2672, 2014.  doi pdf
  20. Optimal control of multiscale systems using reduced-order models (with C. Hartmann, J.C. Latorre and G.A. Pavliotis), J. Comput. Dyn. Vol.1, No.2, pp.279-306, 2014.   doi
  21. Nucleation Rate Calculation for the Phase Transition of Diblock Copolymers under Stochastic Cahn-Hilliard Dynamics (with T. Li and P. Zhang), Multiscale Model. Simul., 11(1), pp.385-409, 2013.   doi pdf
  22. Numerical study for the nucleation of one-dimensional stochastic Cahn-Hilliard dynamics (with T. Li and P. Zhang), Commun. Math. Sci, 10(4), pp.1105-1132, 2012.   doi pdf