1. M. Weber, S. Kube, L. Walter, P. Deuflhard: Stable Computation of Probability Densities of Metastable Dynamical Systems. ZIB Report 06-39 (November 2006). Submitted.

  2. P. Deuflhard, Ch. Schütte: Molecular Conformation Dynamics and Computational Drug Design. In: J.M. Hill, R. Moore (eds), Applied Mathematics Entering the 21st Century, Invited Talks from the ICIAM 2003 Congress, Sydney, Australia, pp. 91-119 (2004).

  3. P. Deuflhard, M. Weber: Robust Perron Cluster Analysis in Conformation Dynamics. In: M. Dellnitz, S. Kirkland, M. Neumann and C. Schütte (eds.), Linear Algebra and Its Applications: Special Issue on Matrices and Mathematical Biology, Vol. 398C, pp. 161-184 (2004)

  4. P. Deuflhard, A. Hohmann: Numerical Analysis in Modern Scientific Computing: An Introduction. Second revised and extended edition. Texts in Applied Mathematics 43, Springer (2003).

  5. P. Deuflhard, A. Hohmann: Numerische Mathematik I. Eine algorithmisch orientierte Einführung. 3. überarbeitete und erweiterte Auflage. de Gruyter: Berlin, New York (2002).

  6. T. Galliat, P. Deuflhard, R. Roitzsch, F. Cordes: Automatic Identification of Metastable Conformations via Self-Organized Neural Networks. In: T.Schlick and H.H.Gan (eds.), Computational Methods for Macromolecules: Challenges and Applications. Proceedings of the 3rd International Workshop on Methods for Macromolecular Modeling, New York, 2000, Lecture Notes in Computational Science and Engineering (LNCSE), Vol. 24, Springer Verlag, (2002).

  7. T. Galliat, P. Deuflhard: Adaptive Hierarchical Cluster Analysis by Self-Organizing Box Maps. ZIB-Report 00-13 (2000).

  8. T. Galliat, W. Huisinga, P. Deuflhard: Self-Organizing Maps Combined with Eigenmode Analysis for Automated Cluster Identification. Konrad-Zuse-Zentrum Berlin, Preprint SC 99-38. In: H. Bothe, R. Rojas (eds.), Neural Computation, ICSC Academic Press, pp. 227-232 (2000).

  9. Ch. Schütte, W. Huisinga, P. Deuflhard: Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems. In: B. Fieder (ed.): Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems. Springer, pp. 191-223 (2001).

  10. Ch. Schütte, A. Fischer, W. Huisinga, P. Deuflhard: A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo. J. Comput. Phys., Special Issue Comp. Biophysics, Academic Press, Vol. 151, pp. 146--169 (1999).

  11. P. Deuflhard, W. Huisinga, A. Fischer, Ch. Schütte: Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains. Lin. Alg. Appl. 315, pp. 39-59 (2000).