Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique H Wang, C Hartmann, C Schütte, L Delle Site Phys. Rev. X 3, 011018, 2013 | 117 | 2013 |
Characterization of rare events in molecular dynamics C Hartmann, R Banisch, M Sarich, T Badowski, C Schütte Entropy 16 (1), 350-376, 2013 | 90 | 2013 |
Efficient rare event simulation by optimal nonequilibrium forcing C Hartmann, C Schütte Journal of Statistical Mechanics: Theory and Experiment 2012 (11), P11004, 2012 | 77 | 2012 |
Applications of the cross-entropy method to importance sampling and optimal control of diffusions W Zhang, H Wang, C Hartmann, M Weber, C Schütte SIAM Journal on Scientific Computing 36 (6), A2654-A2672, 2014 | 74 | 2014 |
Balanced averaging of bilinear systems with applications to stochastic control C Hartmann, B Schafer-Bung, A Thons-Zueva SIAM Journal on Control and Optimization 51 (3), 2356-2378, 2013 | 73 | 2013 |
Data-based parameter estimation of generalized multidimensional Langevin processes I Horenko, C Hartmann, C Schütte, F Noe Physical Review E 76 (1), 016706, 2007 | 72 | 2007 |
Effective dynamics along given reaction coordinates, and reaction rate theory W Zhang, C Hartmann, C Schütte Faraday discussions 195, 365-394, 2016 | 65 | 2016 |
Molecular dynamics in a grand ensemble: Bergmann–Lebowitz model and adaptive resolution simulation A Agarwal, J Zhu, C Hartmann, H Wang, L Delle Site New Journal of Physics 17 (8), 083042, 2015 | 64 | 2015 |
Balanced truncation of linear second-order systems: a Hamiltonian approach C Hartmann, VM Vulcanov, C Schütte Multiscale Modeling & Simulation 8 (4), 1348-1367, 2010 | 55 | 2010 |
Girsanov reweighting for path ensembles and Markov state models L Donati, C Hartmann, BG Keller The Journal of chemical physics 146 (24), 2017 | 51 | 2017 |
Variational characterization of free energy: Theory and algorithms C Hartmann, L Richter, C Schütte, W Zhang Entropy 19 (11), 626, 2017 | 42 | 2017 |
Markov state models for rare events in molecular dynamics M Sarich, R Banisch, C Hartmann, C Schütte Entropy 16 (1), 258-286, 2013 | 41 | 2013 |
WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction B Schmidt, C Hartmann Computer Physics Communications 228, 229-244, 2018 | 38 | 2018 |
An averaging principle for fast degrees of freedom exhibiting long-term correlations C Schütte, J Walter, C Hartmann, W Huisinga Multiscale Modeling & Simulation 2 (3), 501-526, 2004 | 38 | 2004 |
Optimal control of molecular dynamics using Markov state models C Schütte, S Winkelmann, C Hartmann Mathematical programming 134, 259-282, 2012 | 37 | 2012 |
On two possible definitions of the free energy for collective variables C Hartmann, JC Latorre, G Ciccotti The European Physical Journal Special Topics 200 (1), 73-89, 2011 | 35 | 2011 |
A constrained hybrid Monte‐Carlo algorithm and the problem of calculating the free energy in several variables C Hartmann, C Schütte ZAMM‐Journal of Applied Mathematics and Mechanics/Zeitschrift für Angewandte …, 2005 | 33 | 2005 |
Model reduction algorithms for optimal control and importance sampling of diffusions C Hartmann, C Schütte, W Zhang Nonlinearity 29 (8), 2298, 2016 | 31 | 2016 |
Optimal control of multiscale systems using reduced-order models C Hartmann, JC Latorre, W Zhang, GA Pavliotis Journal of Computational Dynamics 1 (2), 279-306, 2014 | 31* | 2014 |
Variational approach to rare event simulation using least-squares regression C Hartmann, O Kebiri, L Neureither, L Richter Chaos: An Interdisciplinary Journal of Nonlinear Science 29 (6), 2019 | 29 | 2019 |