@misc{SchaeferBungHartmannSchmidtetal., author = {Sch{\"a}fer-Bung, Boris and Hartmann, Carsten and Schmidt, Burkhard and Sch{\"u}tte, Christof}, title = {Dimension reduction by balanced truncation: Application to light-induced control of open quantum systems}, series = {The Journal of Chemical Physics}, volume = {135}, journal = {The Journal of Chemical Physics}, number = {1}, issn = {1089-7690}, doi = {10.1063/1.3605243}, pages = {014112}, language = {en} } @misc{HartmannBanischSarichetal., author = {Hartmann, Carsten and Banisch, Ralf and Sarich, Marco and Badowski, Tomasz and Sch{\"u}tte, Christof}, title = {Characterization of rare events in molecular dynamics}, series = {Entropy}, volume = {16}, journal = {Entropy}, number = {1}, issn = {1099-4300}, doi = {10.3390/e16010350}, pages = {350 -- 376}, language = {en} } @misc{HartmannSchuette, author = {Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {Efficient rare event simulation by optimal nonequilibrium forcing}, series = {Journal of Statistical Mechanics: Theory and Experiment}, volume = {November}, journal = {Journal of Statistical Mechanics: Theory and Experiment}, issn = {1742-5468}, doi = {10.1088/1742-5468/2012/11/P11004}, pages = {P 11004}, language = {en} } @misc{SchuetteWinkelmannHartmann, author = {Sch{\"u}tte, Christof and Winkelmann, Stefanie and Hartmann, Carsten}, title = {Optimal control of molecular dynamics using Markov state models}, series = {Mathematical Programming (Series B)}, volume = {134}, journal = {Mathematical Programming (Series B)}, number = {1}, issn = {0025-5610}, doi = {10.1007/s10107-012-0547-6}, pages = {259 -- 282}, language = {en} } @misc{SarichBanischHartmannetal., author = {Sarich, Marco and Banisch, Ralf and Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {Markov state models for rare events in molecular dynamics}, series = {Entropy}, volume = {16}, journal = {Entropy}, number = {1}, issn = {1099-4300}, doi = {10.3390/e16010258}, pages = {258 -- 286}, language = {en} } @misc{ZhangWangHartmannetal., author = {Zhang, Wei and Wang, Han and Hartmann, Carsten and Weber, Marcus and Sch{\"u}tte, Christof}, title = {Applications of the cross-entropy method to importance sampling and optimal control of diffusions}, series = {SIAM (Society for Industrial and Applied Mathematics)}, volume = {36}, journal = {SIAM (Society for Industrial and Applied Mathematics)}, number = {6}, issn = {1095-7197}, doi = {10.1137/14096493X}, pages = {A2654 -- A2672}, language = {en} } @misc{WangHartmannSchuette, author = {Wang, Han and Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {Linear response theory and optimal control for a molecular system under non-equilibrium conditions}, series = {Molecular Physics: An International Journal at the Interface Between Chemistry and Physics}, volume = {111}, journal = {Molecular Physics: An International Journal at the Interface Between Chemistry and Physics}, number = {22-23}, issn = {1362-3028}, doi = {10.1080/00268976.2013.844370}, pages = {3555 -- 3564}, language = {en} } @misc{WangHartmannSchuetteetal., author = {Wang, Han and Hartmann, Carsten and Sch{\"u}tte, Christof and Delle Site, Luigi}, title = {Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique}, series = {PHYSICAL REVIEW X}, volume = {3}, journal = {PHYSICAL REVIEW X}, number = {1}, issn = {2160-3308}, doi = {10.1103/PhysRevX.3.011018}, pages = {011018}, language = {en} } @misc{LatorreMetznerHartmannetal., author = {Latorre, Juan C. and Metzner, Philipp and Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {A Structure-preserving numerical discretization of reversible diffusions}, series = {Communications in Mathematical Sciences}, volume = {9}, journal = {Communications in Mathematical Sciences}, number = {4}, issn = {1945-0796}, pages = {1051 -- 1072}, language = {en} } @misc{HartmannVulcanovSchuette, author = {Hartmann, Carsten and Vulcanov, Valentina-Mira and Sch{\"u}tte, Christof}, title = {Balanced truncation of linear second-order systems: A Hamiltonian approach}, series = {Multiscale Modeling \& Simulation}, volume = {8}, journal = {Multiscale Modeling \& Simulation}, number = {4}, issn = {1540-3467}, doi = {10.1137/080732717}, pages = {1348 -- 1367}, language = {en} } @misc{SchuetteWalterHartmannetal., author = {Sch{\"u}tte, Christof and Walter, Jessika and Hartmann, Carsten and Huisinga, Wilhelm}, title = {An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations}, series = {Multiscale Modeling \& Simulation}, volume = {2}, journal = {Multiscale Modeling \& Simulation}, number = {3}, issn = {1540-3467}, doi = {10.1137/030600308}, pages = {501 -- 526}, language = {en} } @misc{HartmannSchuetteWeberetal., author = {Hartmann, Carsten and Sch{\"u}tte, Christof and Weber, Marcus and Zhang, Wei}, title = {Importance sampling in path space for diffusion processes with slow-fast variables}, series = {Probability Theory and Related Fields}, volume = {170}, journal = {Probability Theory and Related Fields}, number = {1-2}, issn = {0178-8051}, doi = {10.1007/s00440-017-0755-3}, pages = {177 -- 228}, language = {en} } @misc{ZhangHartmannSchuette, author = {Zhang, Wei and Hartmann, Carsten and Sch{\"u}tte, Christof}, title = {Effective dynamics along given reaction coordinates, and reaction rate theory}, series = {Faraday Discussions}, volume = {195}, journal = {Faraday Discussions}, issn = {1359-6640}, doi = {10.1039/C6FD00147E}, pages = {365 -- 394}, language = {en} } @misc{HartmannSchuetteZhang, author = {Hartmann, Carsten and Sch{\"u}tte, Christof and Zhang, Wei}, title = {Model reduction algorithms for optimal control and importance sampling of diffusions}, series = {Nonlinearity}, volume = {29}, journal = {Nonlinearity}, number = {8}, issn = {1361-6544}, doi = {10.1088/0951-7715/29/8/2298}, pages = {2298 -- 2326}, language = {en} } @misc{HartmannRichterSchuetteetal., author = {Hartmann, Carsten and Richter, Lorenz and Sch{\"u}tte, Christof and Zhang, Wei}, title = {Variational characterization of free energy: theory and algorithms}, series = {Entropy}, volume = {19}, journal = {Entropy}, number = {11}, issn = {1099-4300}, doi = {10.3390/e19110626}, pages = {27}, language = {en} } @misc{HartmannSchuetteZhang, author = {Hartmann, Carsten and Sch{\"u}tte, Christof and Zhang, Wei}, title = {Jarzysnki equality, fluctuation theorems and variance reduction: Mathematical analysis and numerical algorithms}, series = {Journal of Statistical Physics}, volume = {175}, journal = {Journal of Statistical Physics}, number = {6}, issn = {1572-9613}, doi = {10.1007/s10955-019-02286-4}, pages = {1214 -- 1261}, language = {en} } @misc{SchuetteKlusHartmann, author = {Sch{\"u}tte, Christof and Klus, Stefan and Hartmann, Carsten}, title = {Overcoming the Timescale Barrier in Molecular Dynamics: Transfer Operators, Variational Principles, and Machine Learning}, series = {Acta Numerica}, volume = {Vol. 32}, journal = {Acta Numerica}, issn = {1474-0508}, doi = {10.1017/S0962492923000016}, pages = {517 -- 673}, language = {en} }