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