| |
|
I am Assistant Professor of Mathematics and head of the Computational Stochastics group at the Department of Mathematics and Computer Science at Freie Universität Berlin, project leader at the DFG Research Center Matheon and member of the Biocomputing group at the Institute of Mathematics.
My focus of interest is on the multiscale analysis of stochastic and deterministic dynamical systems for biological applications. In particular, I am investigating model reduction techniques for classical molecular systems and cellular systems as well as sampling methods for systems with state space restrictions (e.g., holonomic constraints) or non-smooth contact dynamics (e.g., hard sphere collisions).
Research interests
Multiscale analysis of randomly perturbed dynamical systems
Structure-preserving model reduction of control systems
Free energy calculations and non-equilibrium statistical mechanics
Parameter estimation and non-Markovian processes
Stochastic modelling of biomembranes and cellular processes
Statistical mechanics of holonomically constrained dynamical systems
Articles
- Optimal control of molecular dynamics using Markov state models
Ch. Schütte, S. Winkelmann, and C. Hartmann
to appear in Math. Program. (Series B) , 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)
- Balanced model reduction of bilinear systems with applications to positive systems
C. Hartmann, B. Schäfer-Bung and A. Zueva
submitted to SIAM J. Control Optim., 2010 ( 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
|