TY - GEN A1 - Schäfer-Bung, Boris A1 - Hartmann, Carsten A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Dimension reduction by balanced truncation: Application to light-induced control of open quantum systems T2 - The Journal of Chemical Physics Y1 - 2011 U6 - https://doi.org/10.1063/1.3605243 SN - 1089-7690 VL - 135 IS - 1 SP - 014112 ER - TY - GEN A1 - Hartmann, Carsten A1 - Banisch, Ralf A1 - Sarich, Marco A1 - Badowski, Tomasz A1 - Schütte, Christof T1 - Characterization of rare events in molecular dynamics T2 - Entropy Y1 - 2014 U6 - https://doi.org/10.3390/e16010350 SN - 1099-4300 VL - 16 IS - 1 SP - 350 EP - 376 ER - TY - GEN A1 - Hartmann, Carsten A1 - Schütte, Christof T1 - Efficient rare event simulation by optimal nonequilibrium forcing T2 - Journal of Statistical Mechanics: Theory and Experiment Y1 - 2012 U6 - https://doi.org/10.1088/1742-5468/2012/11/P11004 SN - 1742-5468 VL - November SP - P 11004 ER - TY - GEN A1 - Schütte, Christof A1 - Winkelmann, Stefanie A1 - Hartmann, Carsten T1 - Optimal control of molecular dynamics using Markov state models T2 - Mathematical Programming (Series B) Y1 - 2012 U6 - https://doi.org/10.1007/s10107-012-0547-6 SN - 0025-5610 VL - 134 IS - 1 SP - 259 EP - 282 ER - TY - GEN A1 - Sarich, Marco A1 - Banisch, Ralf A1 - Hartmann, Carsten A1 - Schütte, Christof T1 - Markov state models for rare events in molecular dynamics T2 - Entropy Y1 - 2014 U6 - https://doi.org/10.3390/e16010258 SN - 1099-4300 VL - 16 IS - 1 SP - 258 EP - 286 ER - TY - GEN A1 - Zhang, Wei A1 - Wang, Han A1 - Hartmann, Carsten A1 - Weber, Marcus A1 - Schütte, Christof T1 - Applications of the cross-entropy method to importance sampling and optimal control of diffusions T2 - SIAM (Society for Industrial and Applied Mathematics) Y1 - 2014 U6 - https://doi.org/10.1137/14096493X SN - 1095-7197 VL - 36 IS - 6 SP - A2654 EP - A2672 ER - TY - GEN A1 - Wang, Han A1 - Hartmann, Carsten A1 - Schütte, Christof T1 - Linear response theory and optimal control for a molecular system under non-equilibrium conditions T2 - Molecular Physics: An International Journal at the Interface Between Chemistry and Physics Y1 - 2013 U6 - https://doi.org/10.1080/00268976.2013.844370 SN - 1362-3028 VL - 111 IS - 22-23 SP - 3555 EP - 3564 ER - TY - GEN A1 - Wang, Han A1 - Hartmann, Carsten A1 - Schütte, Christof A1 - Delle Site, Luigi T1 - Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique T2 - PHYSICAL REVIEW X Y1 - 2013 U6 - https://doi.org/10.1103/PhysRevX.3.011018 SN - 2160-3308 VL - 3 IS - 1 SP - 011018 ER - TY - GEN A1 - Latorre, Juan C. A1 - Metzner, Philipp A1 - Hartmann, Carsten A1 - Schütte, Christof T1 - A Structure-preserving numerical discretization of reversible diffusions T2 - Communications in Mathematical Sciences Y1 - 2011 UR - http://dx.doi.org/10.4310/CMS.2011.v9.n4.a6 SN - 1945-0796 VL - 9 IS - 4 SP - 1051 EP - 1072 ER - TY - GEN A1 - Hartmann, Carsten A1 - Vulcanov, Valentina-Mira A1 - Schütte, Christof T1 - Balanced truncation of linear second-order systems: A Hamiltonian approach T2 - Multiscale Modeling & Simulation Y1 - 2010 U6 - https://doi.org/10.1137/080732717 SN - 1540-3467 VL - 8 IS - 4 SP - 1348 EP - 1367 ER - TY - GEN A1 - Schütte, Christof A1 - Walter, Jessika A1 - Hartmann, Carsten A1 - Huisinga, Wilhelm T1 - An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations T2 - Multiscale Modeling & Simulation Y1 - 2004 U6 - https://doi.org/10.1137/030600308 SN - 1540-3467 VL - 2 IS - 3 SP - 501 EP - 526 ER - TY - GEN A1 - Hartmann, Carsten A1 - Schütte, Christof A1 - Weber, Marcus A1 - Zhang, Wei T1 - Importance sampling in path space for diffusion processes with slow-fast variables T2 - Probability Theory and Related Fields Y1 - 2018 U6 - https://doi.org/10.1007/s00440-017-0755-3 SN - 0178-8051 SN - 1432-2064 VL - 170 IS - 1-2 SP - 177 EP - 228 ER - TY - GEN A1 - Zhang, Wei A1 - Hartmann, Carsten A1 - Schütte, Christof T1 - Effective dynamics along given reaction coordinates, and reaction rate theory T2 - Faraday Discussions Y1 - 2016 U6 - https://doi.org/10.1039/C6FD00147E SN - 1359-6640 SN - 1364-5498 VL - 195 SP - 365 EP - 394 ER - TY - GEN A1 - Hartmann, Carsten A1 - Schütte, Christof A1 - Zhang, Wei T1 - Model reduction algorithms for optimal control and importance sampling of diffusions T2 - Nonlinearity Y1 - 2016 U6 - https://doi.org/10.1088/0951-7715/29/8/2298 SN - 1361-6544 SN - 0951-7715 VL - 29 IS - 8 SP - 2298 EP - 2326 ER - TY - GEN A1 - Hartmann, Carsten A1 - Richter, Lorenz A1 - Schütte, Christof A1 - Zhang, Wei T1 - Variational characterization of free energy: theory and algorithms T2 - Entropy Y1 - 2017 U6 - https://doi.org/10.3390/e19110626 SN - 1099-4300 N1 - Special Issue "Understanding Molecular Dynamics via Stochastic Processes" VL - 19 IS - 11 ER - TY - GEN A1 - Hartmann, Carsten A1 - Schütte, Christof A1 - Zhang, Wei T1 - Jarzysnki equality, fluctuation theorems and variance reduction: Mathematical analysis and numerical algorithms T2 - Journal of Statistical Physics Y1 - 2019 U6 - https://doi.org/10.1007/s10955-019-02286-4 SN - 1572-9613 SN - 0022-4715 VL - 175 IS - 6 SP - 1214 EP - 1261 ER - TY - GEN A1 - Schütte, Christof A1 - Klus, Stefan A1 - Hartmann, Carsten T1 - Overcoming the Timescale Barrier in Molecular Dynamics: Transfer Operators, Variational Principles, and Machine Learning T2 - Acta Numerica Y1 - 2023 U6 - https://doi.org/10.1017/S0962492923000016 SN - 1474-0508 SN - 0962-4929 VL - Vol. 32 SP - 517 EP - 673 ER -