Prof. Dr. Carsten Hartmann

Freie Universität Berlin
Institut für Mathematik
Arnimallee 6 – room 136
14195 Berlin, Germany

Fon: +49 (30) 838 75286
Fax: +49 (30) 838 75412

chartman@mi.fu-berlin.de
   


I have moved to BTU Cottbus-Senftenberg. This website is out of date. Please visit my new webpage!

News

CECAM node SCM Berlin: Visitors Program "Mathematics in Molecular Simulation"

Teaching

Please follow the link to past and current courses.

Research interests

  • Random dynamical systems with multiple scales

  • Numerical methods for stochastic control and filtering

  • Monte Carlo sampling of rare events

  • Non-equilibrium statistical mechanics and molecular dynamics

  • Statistical mechanics of holonomically constrained dynamical systems

  • Model and dimension reduction of linear and nonlinear systems

    • Articles

    • Constructing Markov State Models of Reduced Complexity from Agent-Based Simulation Data
      M. Hallier, C. Hartmann
      submitted to Social Simulation Conference (SSC2016), 2016 (pdf file of preprint)

    • A Markov state modeling approach to characterizing the punctuated equilibrium dynamics of stochastic evolutionary games
      M. Hallier, C. Hartmann
      submitted to GAMES 2016, 5th World Conference of the Game Theory Society, 2016 (pdf file of preprint)

    • Optimal control of Markov jump processes: Asymptotic analysis, algorithms, and application to modelling of chemical reaction systems
      W. Zhang, C. Hartmann, M. von Kleist
      submitted to Commun. Math. Sci., 2016 (pdf file of ArXiv preprint)

    • Projection-based algorithms for optimal control and importance sampling of diffusions
      C. Hartmann, Ch. Schütte, W. Zhang
      to appear in Nonlinearity, 2015 (pdf file of preprint)

    • Molecular dynamics in a Grand Ensemble: Bergmann-Lebowitz model and adaptive resolution simulation
      A. Agarwal, J. Zhu, H. Wang, C. Hartmann, L. Delle Site
      New J. Phys. 17, 083042, 2015 (journal link)

    • A sparse Markov chain approximation of LQ-type stochastic control problems
      R. Banisch and C. Hartmann
      to appear in Math. Control Relat. F., 2015 (pdf file of preprint)

    • Editorial: Scale bridging in molecular simulation
      C. Hartmann and L. Delle Site
      Eur. Phys J. Special Topics 224, 2173-2176, 2015 (journal link)

    • Pseudo generators for under-resolved molecular dynamics
      A. Bittracher, C. Hartmann, O. Junge, P. Koltai
      Eur. Phys J. Special Topics 224, 2463-2490, 2015 (pdf file of preprint)

    • Importance sampling in path space for diffusion processes
      C. Hartmann, Ch. Schütte, M. Weber and W. Zhang
      submitted to Probab. Theory Rel. Fields, 2015 (pdf file of preprint)

    • Martingale-based gradient descent algorithm for estimating free energy values of diffusions
      H.C Lie, Ch. Schütte and C. Hartmann
      submitted to SIAM J. Sci. Comput., 2014 (pdf file of preprint)

    • Applications of the cross-entropy method to importance sampling and optimal control of diffusions
      W. Zhang, H. Wang, C. Hartmann, M. Weber and Ch. Schütte
      SIAM J. Sci. Comput. 36, A2654-A2672, 2014 (pdf file of preprint)

    • Optimal control of multiscale systems using reduced-order models
      W. Zhang, J. Latorre, G. Pavliotis and C. Hartmann
      J. Computational Dynamics 1, 279-306, 2014 (pdf file of preprint)

    • Meshless discretization of LQ-type stochastic control problems
      R. Banisch and C. Hartmann
      arXiv:1309.7497, 2013 (pdf file of preprint)

    • The falling cat problem and shape effects in small molecules in a random environment: a case study
      C. Hartmann and T. Yanao
      Mol. Phys. (Special Issue) 111, 3534-3545, 2013 (      pdf file of preprint)

    • Linear response theory and optimal control for a molecular system under non-equilibrium conditions
      H. Wang, C. Hartmann and Ch. Schütte
      Phys. (Special Issue) 111, 3555-3564, 2013 (pdf file of preprint)

    • Characterization of rare events in molecular dynamics
      C. Hartmann, R. Banisch, M. Sarich, T. Badowski and Ch. Schütte
      Entropy 16, 350-376, 2013 (pdf file of preprint)

    • Markov state models for rare events in molecular dynamics
      M. Sarich, R. Banisch, C. Hartmann and Ch. Schütte
      Entropy 16, 258-286, 2013 (pdf file of preprint)

    • Balanced averaging of bilinear systems with applications to stochastic control
      C. Hartmann, B. Schäfer-Bung and A. Zueva
      SIAM J. Control Optim. 51, 2356-2378, 2013 (pdf file of preprint)

    • The reliability of the adaptive resolution technique in performing grand canonical-like molecular dynamics simulations
      H. Wang, C. Hartmann, L. Delle Site and Ch. Schütte
      Phys. Rev. X 3, 011018, 2013 (pdf file of preprint)

    • Efficient rare event simulation by optimal nonequilibrium forcing
      C. Hartmann and Ch. Schütte
      J. Stat. Mech. Theor. Exp. 2012, P11004, 2012 (pdf file of preprint)

    • Optimal control of molecular dynamics using Markov state models
      Ch. Schütte, S. Winkelmann, and C. Hartmann
      Math. Program. (Series B), 134, 259-282, 2012 (pdf file of preprint)

    • Variational collision integrator for polymer chains
      S. Leyendecker, C. Hartmann, M. Koch
      J. Comput. Phys. 231, 3896-3911, 2012 (pdf file of preprint)

    • Ambient space formulations and statistical mechanics of holonomically constrained Langevin systems
      J. Walter, C. Hartmann, and J. Maddocks
      Eur. Phys. J. Special Topics 200, 153-181, 2011 (pdf file of preprint)

    • On two possible definitions of the free energy for collective variables
      C. Hartmann, J. Latorre and G. Ciccotti
      Eur. Phys. J. Special Topics 200, 73-89, 2011 (pdf file of preprint)

    • Dimension reduction by balanced truncation: Application to light-induced control of open quantum systems
      B. Schäfer-Bung, C. Hartmann, B. Schmidt and Ch. Schütte
      J. Chem. Phys. 135, 014112, 2011 (pdf file of preprint)

    • A Structure-preserving numerical discretization of reversible diffusions
      J. Latorre, Ph. Metzner, C. Hartmann and Ch. Schütte
      Commun. Math. Sci. 9, 1051-1072, 2011 (pdf file of preprint)

    • Balanced model reduction of partially-observed Langevin equations: an averaging principle
      C. Hartmann
      Math. Comput. Model. Dyn. Syst. 17, 463-490, 2011 (pdf file of preprint)

    • Free energy computation by controlled Langevin processes
      J. Latorre, C. Hartmann, Ch. Schütte
      Procedia Computer Science 1, pp. 1591-1600, 2010 (pdf file of preprint)

    • On the linear response of mechanical systems with constraints
      C. Hartmann, Ch. Schütte and G. Ciccotti
      J. Chem. Phys. 132, 111103, 2010 (pdf file of preprint)

    • Balanced truncation of linear second-order systems: A Hamiltonian approach
      C. Hartmann, V.-M. Vulcanov, Ch. Schütte
      Multiscale Model. Simul. 8, No. 4, pp. 1348 - 1367, 2010 (pdf file of preprint)

    • Balancing of dissipative Hamiltonian systems
      C. Hartmann
      In: Proceedings of MATHMOD 09, I.Troch and F. Breitenecker (eds.), ARGESIM Report 35, pp. 1244-1255, 2009 (pdf file of preprint)

    • Fast simulation of polymer chains
      C. Hartmann, Ch. Schütte, G.Kalibaeva, M. di Pierro, G. Ciccotti
      J. Chem. Phys. 130, 144101, 2009 (pdf file of reprint)

    • Conformation Dynamics
      Ch. Schütte, F. Noe, E. Meerbach, Ph. Metzner, C. Hartmann
      In: Proceedings of the 6th International Congress on Industrial and Applied Mathematics, I. Jeltsch and G. Wanner (eds.), pp. 297-335, 2009 (pdf file of preprint)

    • Balancing of partially-observed stochastic differential equations
      C. Hartmann, Ch. Schütte
      47th IEEE Conference on Decision and Control, pp. 4867-4872, 2008 (pdf file of reprint)

    • An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics
      C. Hartmann
      J. Stat. Phys. 130, No. 4, pp. 687-712, 2008 (pdf file of preprint)

    • Data-based parameter estimation of generalized multidimensional Langevin processes
      I. Horenko, F. Noe, C. Hartmann, Ch. Schütte
      Phys. Rev. E 76, 016706, 2007 (pdf file of reprint)

    • Comment on two distinct notions of free energy
      C. Hartmann, Ch. Schütte
      Physica D 228, No. 1, pp. 59-63, 2007 (pdf file of preprint)

    • A constrained hybrid Monte-Carlo algorithm and the problem of calculating the free energy in several variables
      C. Hartmann, Ch. Schütte
      Z. Angew. Math. Mech. 85, No. 10, pp. 700-710, 2005 (pdf file of preprint)

    • A geometric approach to constrained molecular dynamics and free energy
      C. Hartmann, Ch. Schütte
      Commun. Math. Sci. 3, No. 1, pp 1-20, 2005 (pdf file of reprint)

    • An averaging principle for fast degrees of freedom exhibiting long-term correlations
      Ch. Schütte, J. Walter, C. Hartmann, W. Huisinga
      Multiscale Model. Simul. 2, No. 3, pp. 501-526, 2004 (pdf file of reprint)

    Reports/Preprints

    • Variational collision integrators in forward dynamics and optimal control
      S. Leyendecker, C. Hartmann, M. Koch, G. Johnson, M. Ortiz
      Proceedings of the 7th International Conference Croatian Society of Mechanics (7ICCSM2012), 2012 (pdf file of preprint)

    • Computing free energy differences using conditioned diffusions
      C. Hartmann, J. Latorre
      Proceedings of the 11th Granada Seminar on Computational Physics (vol. 1332), pp. 218-220, 2011 (pdf file of preprint)

    • Structure-preserving model reduction of partially observed differential equations: molecular dynamics and beyond
      C. Hartmann
      Oberwolfach Reports 5, No. 2 "Atomistic models of materials", pp. 1111-1115, 2008 (pdf file of preprint)

    • Blind model reduction for high-dimensional time-dependent data
      I. Horenko, C. Hartmann
      Matheon Preprint #478, 2006 (pdf file of preprint)

    • A WKB approximation for the nonlinear Schrödinger-Newton equations
      C. Hartmann, H.-J. Schmidt
      Preprint, 2001 (pdf file of preprint)

    Theses

    Lecture Notes