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 - Hartmann, Carsten A1 - Yanao, Tomohiro T1 - The falling cat problem and shape effects in small molecules in a random environment: a case study T2 - Molecular Physics Y1 - 2013 U6 - https://doi.org/10.1080/00268976.2013.831956 SN - 1362-3028 VL - 111 IS - 22-23 SP - 3534 EP - 3545 ER - TY - GEN A1 - Hartmann, Carsten A1 - Schäfer-Bung, Boris A1 - Thöns-Zueva, Anastasia T1 - Balanced averaging of bilinear systems with applications to stochastic control T2 - SIAM Journal on Control and Optimization Y1 - 2013 U6 - https://doi.org/10.1137/100796844 SN - 1095-7138 VL - 51 IS - 3 SP - 2356 EP - 2378 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 - 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 T1 - Balanced model reduction of partially-observed Langevin equations: an averaging principle T2 - Mathematical and Computer Modelling of Dynamical Systems: Methods, Tools and Applications in Engineering and Related Sciences Y1 - 2011 U6 - https://doi.org/10.1080/13873954.2011.576517 SN - 1744-5051 VL - 17 IS - 5 SP - 463 EP - 490 ER - TY - GEN A1 - Hartmann, Carsten A1 - Latorre, Juan C. A1 - Ciccotti, Giovanni T1 - On two possible definitions of the free energy for collective variables T2 - The European Physical Journal Special Topics Y1 - 2011 U6 - https://doi.org/10.1140/epjst/e2011-01519-7 SN - 1951-6355 VL - 200 IS - 1 SP - 73 EP - 89 ER - TY - GEN A1 - Walter, Jessika A1 - Hartmann, Carsten A1 - Maddocks, John H. T1 - Ambient space formulations and statistical mechanics of holonomically constrained Langevin systems T2 - The European Physical Journal Special Topics Y1 - 2011 U6 - https://doi.org/10.1140/epjst/e2011-01523-y SN - 1951-6401 VL - 200 IS - 1 SP - 153 EP - 181 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 - Leyendecker, Sigrid A1 - Hartmann, Carsten A1 - Koch, Michael T1 - Variational collision integrator for polymer chains T2 - Journal of Computational Physics Y1 - 2012 U6 - https://doi.org/10.1016/j.jcp.2012.01.017 SN - 0021-9991 VL - 231 IS - 10 SP - 3896 EP - 3911 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 - Delle Site, Luigi T1 - Editorial: Scale bridging in molecular simulation T2 - The European Physical Journal Special Topics Y1 - 2015 U6 - https://doi.org/10.1140/epjst/e2015-02406-y SN - 1951-6355 SN - 1951-6401 VL - 224 IS - 12 SP - 2173 EP - 2176 ER - TY - GEN A1 - Bittracher, Andreas A1 - Hartmann, Carsten A1 - Junge, Oliver A1 - Koltai, Péter T1 - Pseudo generators for under-resolved molecular dynamics T2 - The European Physical Journal Special Topics Y1 - 2015 U6 - https://doi.org/10.1140/epjst/e2015-02422-y SN - 1951-6355 SN - 1951-6401 VL - 224 IS - 12 SP - 2463 EP - 2490 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 - Banisch, Ralf A1 - Hartmann, Carsten T1 - A sparse Markov chain approximation of LQ-type stochastic control problems T2 - Mathematical Control and Related Fields Y1 - 2016 U6 - https://doi.org/10.3934/mcrf.2016007 SN - 2156-8499 SN - 2156-8472 VL - 6 IS - 3 SP - 363 EP - 389 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 - Agarwal, Animesh A1 - Zhu, Jinglong A1 - Hartmann, Carsten A1 - Wang, Han A1 - Delle Site, Luigi T1 - Molecular dynamics in a Grand Ensemble: Bergmann-Lebowitz model and adaptive resolution simulation T2 - New Journal of Physics Y1 - 2015 U6 - https://doi.org/10.1088/1367-2630/17/8/083042 SN - 1367-2630 VL - 17 ER - TY - JOUR A1 - Hartmann, Carsten T1 - Leimkuhler, Ben ; Matthews, Charles: Molecular Dynamics. With Deterministic and Stochastic Numerical Methods. Cham : Springer, 2015 JF - SIAM Review Y1 - 2016 SN - 1095-7200 VL - 58 IS - 3 SP - 586 EP - 588 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 - Schmidt, Burkhard A1 - Hartmann, Carsten T1 - WavePacket: A Matlab package for numerical quantum dynamics.II : Open quantum systems, optimal control, and model reduction T2 - Computer Physics Communications Y1 - 2018 U6 - https://doi.org/10.1016/j.cpc.2018.02.022 SN - 0010-4655 VL - 228 SP - 229 EP - 244 ER - TY - GEN A1 - Delle Site, Luigi A1 - Ciccotti, Giovanni A1 - Hartmann, Carsten T1 - Partitioning a macroscopic system into independent subsystems T2 - Journal of Statistical Mechanics: Theory and Experiment Y1 - 2017 U6 - https://doi.org/10.1088/1742-5468/aa75db SN - 1742-5468 VL - August ER - TY - GEN A1 - Donati, Lorenzo A1 - Hartmann, Carsten A1 - Keller, Bettina G. T1 - Girsanov reweighting for path ensembles and Markov state models T2 - The Journal of Chemical Physics Y1 - 2017 U6 - https://doi.org/10.1063/1.4989474 SN - 1089-7690 VL - 146 IS - 124 SP - 244112-1 EP - 244112-15 ER -