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Startseite Research Projection Theory Of Transfer Operators

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.

Projection Theory of Transfer Operators
Group
Computational Molecular Design
Heads
Schütte, Prof. Dr. Christof
Weber, PD Dr. Marcus
Members
Lie, Han Cheng
Funding
Berlin Mathematical School

Publications

2016
Computation Schemes for Transfer Operators Doctoral thesis, Freie Universität Berlin, Marcus Weber (Advisor), 2016 Adam Nielsen BibTeX
Finding dominant structures of nonreversible Markov processes Multiscale Modeling and Simulation, 14(4), pp. 1319-1340, 2016 (preprint available as ZIB-Report 15-40) Natasa Djurdjevac Conrad, Marcus Weber, Christof Schütte PDF (ZIB-Report)
BibTeX
DOI
The Monte Carlo Computation Error of Transition Probabilities Statistics & Probability Letters, Vol.118, pp. 163-170, 2016 (preprint available as ZIB-Report 16-37) Adam Nielsen PDF (ZIB-Report)
BibTeX
DOI
2015
Computing the nearest reversible Markov chain Numerical Linear Algebra with Applications, 22(3), pp. 483-499, 2015 (preprint available as ZIB-Report 14-48) Adam Nielsen, Marcus Weber PDF (ZIB-Report)
BibTeX
DOI
Kondition des Eigenwertproblems von Markov-Ketten Bachelor's thesis, Freie Universität Berlin, Marcus Weber (Advisor), 2015 Susanne Röhl BibTeX
Markov State Models and Molecular Alchemy Molecular Physics, 113(1), pp. 69-78, 2015 (preprint available as ) Christof Schütte, Adam Nielsen, Marcus Weber BibTeX
DOI
2014
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) Marcus Weber, Konstantin Fackeldey PDF (ZIB-Report)
BibTeX
DOI
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 Christof Schütte, Peter Deuflhard, Frank Noé, Marcus Weber BibTeX
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 Marco Sarich, Christof Schütte BibTeX
DOI
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) Alexander Bujotzek, Ole Schütt, Adam Nielsen, Konstantin Fackeldey, Marcus Weber PDF (ZIB-Report)
BibTeX
DOI
2013
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) Han Cheng Lie, Konstantin Fackeldey, Marcus Weber PDF (ZIB-Report)
BibTeX
DOI
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 Marcus Weber BibTeX
Adaptive spectral clustering with application to tripeptide conformation analysis The Journal of Chemical Physics, Vol.139, pp. 110-194, 2013 Fiete Haack, Konstantin Fackeldey, Susanna Röblitz, Olga Scharkoi, Marcus Weber, Burkhard Schmidt BibTeX
DOI
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 Susanna Röblitz, Marcus Weber BibTeX
DOI
On a Generalized Transfer Operator ZIB-Report 13-74 Adam Nielsen, Konstantin Fackeldey, Marcus Weber PDF
BibTeX
URN
2012
Von Femtosekunden zu Minuten Master's thesis, Freie Universität Berlin, 2012 Adam Nielsen PDF
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