Prof. Dr. Christof Schütte - Vizepräsident
URL: Personal Homepage
Zuse-Institut Berlin (ZIB)
Bereich Numerische Mathematik
Abteilung Numerische Analysis und Modellierung
Takustr. 7
D-14195 Berlin-Dahlem
Germany
Email: schuette
zib.de
Telefon: +49 30 84185 -101
Fax: +49 30 84185 -107
Raum: 4026
Bereich Numerische Mathematik
Abteilung Numerische Analysis und Modellierung
Takustr. 7
D-14195 Berlin-Dahlem
Germany
Email: schuette
zib.deTelefon: +49 30 84185 -101
Fax: +49 30 84185 -107
Raum: 4026
Publikationen
2006 |
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| Illia Horenko, Johannes Schmidt-Ehrenberg, Christof Schütte | Set-oriented dimension reduction: Localizing principal component analysis via hidden Markov models | Computational Life Sciences II: Second International Symposium CompLife 2006, Cambridge (UK), Sept. 2006, Lecture Notes in Bioinformatics, M.R. Berthold, R. Glen, I. Fischer (Eds.), Vol. 4216, pp. 98-115, Springer, 2006 | PDF BibTex | RIS |
2003 |
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| Peter Deuflhard, Christof Schütte | Molecular Conformation Dynamics and Computational Drug Design | Appeared in: J. M. Hill, R. Moore (eds.) Applied Mathematics Entering the 21st Century. Proc. ICIAM 2003, Sydney, Australia, 2004, pp. 91-119 (2004), | PDF (Preprint) BibTex | RIS |
2001 |
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| Alexander Fischer, Christof Schütte, Peter Deuflhard, Frank Cordes | Hierarchical Uncoupling-Coupling of Metastable Conformations | Appeared in: Computational Methods for Macromolecules: Challenges and Applications. Proc. of the 3rd Int. Workshop on Methods for Macromolecular Modeling, New York, Oct. 12-14, 2000. T. Schlick, Gan, H. H. (eds.) Springer 2002. LNCSE 24, pp. 235-259, | PDF (Preprint) BibTex | RIS |
1999 |
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| C. Schütte, A. Fischer, W. Huisinga, P. Deuflhard | A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo | J. Comput. Phys., Vol. 151, pp. 146-168, 1999 | PDF (Preprint) BibTex | RIS |
| Christof Schütte | Conformational Dynamics: Modelling, Theory, Algorithm, and Application to Biomolecules | ZIB-Report SC-99-18 | PDF BibTex | RIS |
| W. Huisinga, C. Best, R. Roitzsch, C. Schütte, F. Cordes | From Simulation Data to Conformational Ensembles: Structure and Dynamics bases Methods | J. Comp. Chem., Vol. 20, No. 16, pp. 1760-1774, 1999 | BibTex | RIS |
| Christof Schütte, Wilhelm Huisinga | On Conformational Dynamics induced by Langevin Processes | Appeared in: Int. Conf. on Differential Equations (EquaDiff 99) B. Fiedler et al. (eds.) 2000, vol. 2,m pp 1247-1262, | PDF (Preprint) BibTex | RIS |
| Christof Schütte | Partial Wigner Transforms and the Quantum--Classical Liouville Equation | ZIB-Report SC-99-10 | PDF BibTex | RIS |
| Christof Schütte, Wilhelm Huisinga, Peter Deuflhard | Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems | Appeared in: Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems. B. Fiedler (ed.) Springer 2001, pp. 191-223, | PDF (Preprint) BibTex | RIS |
1998 |
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| Christof Schütte, Alexander Fischer, Wilhelm Huisinga, Peter Deuflhard | A Hybrid Monte Carlo Method for Essential Molecular Dynamics | A compl. rev. vers. appeared under the title: " A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo" in: J. Comput. Phys. 151 (1999) 146-168, | PDF (Preprint) BibTex | RIS |
| P. Deuflhard, M. Dellnitz, O. Junge, C. Schütte | Computation of essential molecular dynamics by subdivision techniques | Computational molecular dynamics: challenges, methods, ideas. proceedings of the 2nd international symposium on Algorithms for Macromolecular modelling, Berlin, Germany, May 21-24, 1997., P. et al. Deuflhard (Ed.), Vol. 4, pp. 98-115, Berlin: Springer., 1998 | BibTex | RIS |
| Wilhelm Huisinga, Christoph Best, Frank Cordes, Rainer Roitzsch, Christof Schütte | From Simulation Data to Conformational Ensembles: Structure and Dynamics based Methods | Appeared in: J. Comp. Chemistry 20 (1999) pp. 1760-1774, | PDF (Preprint) BibTex | RIS |
| Peter Deuflhard, Wilhelm Huisinga, Alexander Fischer, Christof Schütte | Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains | Appeared in: Lin. Alg. Appl. 315 (2000) 39-59, | PDF (Preprint) BibTex | RIS |
| Christof Schütte, Peter Nettesheim | Non-Adiabatic Effects in Quantum-Classical Molecular Dynamics | Appeared in: F. Keil, W. Mackens et al. Scientific Computing in Chemical Engineering II, Computational Fluid Dynamics, Reaction Engineering and Molecular Properties. Springer (1999) pp. 42-56, | PDF (Preprint) BibTex | RIS |
1997 |
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| Christof Schütte, Folkmar A. Bornemann | Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model | Appeared in: P. Deuflhard, J. Hermans et al., Computational Molecular Dynamics: Challenges, Methods, Ideas., 4, Lecture Notes in Computational Science and Engineering, Springer, 380-395, 1998, | PDF (Preprint) BibTex | RIS |
| Alexander Fischer, Frank Cordes, Christof Schütte | Hybrid Monte Carlo with Adaptive Temperature in a Mixed-Canonical Ensemble: Efficient Conformational Analysis of RNA | Appeared in: Journal of Computational Chemistry Vol. 19, No. 15 (1998) pp. 1689-1697, | PDF (Preprint) BibTex | RIS |
| Peter Nettesheim, Christof Schütte | Numerical Integrators for Quantum-Classical Molecular Dynamics | Appeared in: P. Deuflhard, J. Hermans et al., Computational Molecular Dynamics: Challenges, Methods, Ideas., 4, Lecture Notes in Computational Science and Engineering, Springer, 396-411 (1998), | PDF (Preprint) BibTex | RIS |
| Folkmar A. Bornemann, Christof Schütte | On the Singular Limit of the Quantum-Classical Molecular Dynamics Model | Appeared in: SIAM J. Appl. Math. 59 (1999) 1208-1224, | PDF (Preprint) BibTex | RIS |
1996 |
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| Folkmar A. Bornemann, Christof Schütte | A Mathematical Investigation of the Car-Parrinello Method | Appeared in: Numer. Math. 78 (1998) pp. 359-376, | PDF (Preprint) BibTex | RIS |
| Folkmar A. Bornemann, Christof Schütte | Adaptive Accuracy Control for Microcanonical Car-Parrinello Simulations | Appeared under the title: "An adaptive accuracy control of Car-Parrinello simulations" in: Numer. Math. 83 (2) 179-186 (1999), | PDF (Preprint) BibTex | RIS |
| Peter Nettesheim, Wilhelm Huisinga, Christof Schütte | Chebyshev-Approximation for Wavepacket-Dynamics: better than expected | ZIB-Report SC-96-47 | PDF BibTex | RIS |
| Peter Deuflhard, Michael Dellnitz, Oliver Junge, Christof Schütte | Computation of Essential Molecular Dynamics by Subdivision Techniques I: Basic Concept | Appeared in: P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, R.D. Skeel (eds.), Computational Molecular Dynamics: Challenges, Methods, Ideas. Lecture Notes in Computational Science and Engineering, 4, Springer-Verlag, 98-115, 1998, | PDF (Preprint) BibTex | RIS |
| Christof Schütte, Folkmar A. Bornemann | Homogenization Approach to Smoothed Molecular Dynamics | Appeared in: Nonlinear Analysis, Theory, Methods and Applications 30 (1997) 1805-1814, | PDF (Preprint) BibTex | RIS |
1995 |
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| Folkmar A. Bornemann, Christof Schütte | A Mathematical Approach to Smoothed Molecular Dynamics: Correcting Potentials for Freezing Bond Angles | Appeared under the title ''Homogenization Approach to Smoothed Molecular Dynamics'' in: Nonlinear Analysis, Theory, Methods and Appl. 30 (1997) 1805-1814, | PDF (Preprint) BibTex | RIS |
| Christof Schütte, Manfred Dinand, Gerhard Zumbusch, Ralf Brinkmann | Dynamics of Erbium-doped Waveguide Lasers: Modelling, Reliable Simulation, and Comparison with Experiments | ZIB-Report SC-95-19 | PDF BibTex | RIS |
| Folkmar A. Bornemann, Christof Schütte | Homogenization of Highly Oscillatory Hamiltonian Systems | Appeared under the title: Homogenization of Hamiltonian Systems with a Strong Constraining Potential in: Physica D 102 (1997) 57-77, | PDF (Preprint) BibTex | RIS |
| Folkmar A. Bornemann, Peter Nettesheim, Christof Schütte | Quantum-Classical Molecular Dynamics as an Approximation to Full Quantum Dynamics | A rev. vers. appeared in: J. Chem. Phys. 105 (1996) 1074-1083, | PDF (Preprint) BibTex | RIS |
| Christof Schütte | Smoothed Molecular Dynamics for Thermally Embedded Systems | ZIB-Report SC-95-14 | PDF BibTex | RIS |
1994 |
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| Christof Schütte | A Quasiresonant Smoothing Algorithm for Solving Large Highly Differential Equations from Quantum Chemistry. | ZIB-Report TR-94-04 | PDF BibTex | RIS |
1993 |
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| Christof Schütte | A quasiresonant smoothing algorithm for the fast analysis of selective vibrational excitation. | Appeared in: Impact Comp. Sc. Eng. 5, pp. 176-200 (1993), | PDF (Preprint) BibTex | RIS |
| Christof Schütte, Andreas Hohmann, Manfred Dinand | Numerical Simulation of Relaxation Oscillations of Waveguide-Lasers. | Has been included in: Dinand, M.; Schütte, C.: Theoretical Modelling of Relaxation Oscillations in Er-doped Waveguide-Lasers. J. Lightw. Tech. 13, 1995, | PDF (Preprint) BibTex | RIS |
1992 |
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| Christof Schütte, Michael Wulkow | Quantum Theory with Discrete Spectra and Countable Systems of Differential Equations - A Numerical Treatment of RamanSpectroscopy. | ZIB-Report SC-92-07 | PDF BibTex | RIS |