Projection Theory of Transfer Operators
The main object is analysing sufficent ways to compute a galerkin approximation of the transfer operator. This includes to study the theoretical properties of a galerkin approximation of specific systems and to development algorithms which guarantee those properties for the numerical approximation. Furthermore, one is interested in making this computation as cheap as possible.
Publikationen
2016
2015
2014
2013
2012
2016 |
|||
Adam Nielsen | Computation Schemes for Transfer Operators | Doctoral thesis, Freie Universität Berlin, Marcus Weber (Advisor), 2016 |
BibTeX
|
Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte | Finding dominant structures of nonreversible Markov processes | Multiscale Modeling and Simulation, 14(4), pp. 1319-1340, 2016 (preprint available as ZIB-Report 15-40) |
PDF (ZIB-Report)
BibTeX DOI |
Adam Nielsen | The Monte Carlo Computation Error of Transition Probabilities | Statistics & Probability Letters, Vol.118, pp. 163-170, 2016 (preprint available as ZIB-Report 16-37) |
PDF (ZIB-Report)
BibTeX DOI |
2015 |
|||
Adam Nielsen, Marcus Weber | Computing the nearest reversible Markov chain | Numerical Linear Algebra with Applications, 22(3), pp. 483-499, 2015 (preprint available as ZIB-Report 14-48) |
PDF (ZIB-Report)
BibTeX DOI |
Susanne Röhl | Kondition des Eigenwertproblems von Markov-Ketten | Bachelor's thesis, Freie Universität Berlin, Marcus Weber (Advisor), 2015 |
BibTeX
|
Christof Schütte, Adam Nielsen, Marcus Weber | Markov State Models and Molecular Alchemy | Molecular Physics, 113(1), pp. 69-78, 2015 (preprint available as ) |
BibTeX
DOI |
2014 |
|||
Marcus Weber, Konstantin Fackeldey | Computing the Minimal Rebinding Effect Included in a Given Kinetics | Multiscale Model. Simul., 12(1), pp. 318-334, 2014 (preprint available as ZIB-Report 13-12) |
PDF (ZIB-Report)
BibTeX DOI |
Christof Schütte, Peter Deuflhard, Frank Noé, Marcus Weber | Design of functional molecules | MATHEON-Mathematics for Key Technologies, Vol.1, pp. 49-65, Peter Deuflhard, Martin Grötschel, Dietmar Hömberg, Ulrich Horst, Jürg Kramer, Volker Mehrmann, Konrad Polthier, Frank Schmidt, Christof Schütte, Martin Skutella, Jürgen Sprekels (Eds.), European Mathematical Society, 2014 |
BibTeX
|
Marco Sarich, Christof Schütte | Markov Model Theory | An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation, Vol.797, pp. 23-44, Gregory R. Bowman, Vijay S. Pande, Frank Noé (Eds.), Springer, 2014 |
BibTeX
DOI |
Alexander Bujotzek, Ole Schütt, Adam Nielsen, Konstantin Fackeldey, Marcus Weber | ZIBgridfree: Efficient Conformational Analysis by Partition-of-Unity Coupling | Journal of Mathematical Chemistry, 52(3), pp. 781-804, 2014 (preprint available as ZIB-Report 13-58) |
PDF (ZIB-Report)
BibTeX DOI |
2013 |
|||
Han Cheng Lie, Konstantin Fackeldey, Marcus Weber | A Square Root Approximation of Transition Rates for a Markov State Model | SIAM. J. Matrix Anal. Appl., 34(2), pp. 738-756, 2013 (preprint available as ZIB-Report 13-43) |
PDF (ZIB-Report)
BibTeX DOI |
Marcus Weber | Adaptive Spectral Clustering in Molecular Simulation. In: Studies in Classification, Data Analysis, and Knowledge Organization | XIV: Classification and Data Mining, A. Giusti, G. Ritter, M. Vichi (Eds.), Springer Series, pp. 147-157, 2013 |
BibTeX
|
Fiete Haack, Konstantin Fackeldey, Susanna Röblitz, Olga Scharkoi, Marcus Weber, Burkhard Schmidt | Adaptive spectral clustering with application to tripeptide conformation analysis | The Journal of Chemical Physics, Vol.139, pp. 110-194, 2013 |
BibTeX
DOI |
Susanna Röblitz, Marcus Weber | Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification | Advances in Data Analysis and Classification, 7(2), pp. 147-179, 2013 |
BibTeX
DOI |
Adam Nielsen, Konstantin Fackeldey, Marcus Weber | On a Generalized Transfer Operator | ZIB-Report 13-74 |
PDF
BibTeX URN |
2012 |
|||
Adam Nielsen | Von Femtosekunden zu Minuten | Master's thesis, Freie Universität Berlin, 2012 |
PDF
BibTeX |