2023
|
| Natasa Djurdjevac Conrad, Robin Chemnitz, Margarita Kostre, Fleur Schweigart, Friederike Fless, Christof Schütte, Benjamin Ducke |
A Mathematical perspective on Romanisation: Modelling the Roman road activation process in ancient Tunisia
|
2023 (under review) |
BibTeX
|
| Alberto Montefusco, Christof Schütte, Stefanie Winkelmann |
A route to the hydrodynamic limit of a reaction-diffusion master equation using gradient structures
|
SIAM Journal on Applied Mathematics, 83(2), pp. 837-861, 2023 |
BibTeX
arXiv
DOI
|
| Matthias Plock, Martin Hammerschmidt, Sven Burger, Philipp-Immanuel Schneider, Christof Schütte |
Impact Study of Numerical Discretization Accuracy on Parameter Reconstructions and Model Parameter Distributions
|
Metrologia, Vol.60, p. 054001, 2023 |
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DOI
arXiv
|
| Enric Ribera Borrell, Jannes Quer, Lorenz Richter, Christof Schütte |
Improving control based importance sampling strategies for metastable diffusions via adapted metadynamics
|
SIAM Journal on Scientific Computing (SISC), pp. S298-S323, 2023 (epub ahead of print) |
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DOI
|
| Jan-Hendrik Niemann, Stefan Klus, Nataša Conrad, Christof Schütte |
Koopman-Based Surrogate Models for Multi-Objective Optimization of Agent-Based Systems
|
Physica D: Nonlinear Phenomena, 2023 (under review) |
BibTeX
arXiv
|
| Arne Thies, Vikram Sunkara, Sourav Ray, Hanna Wulkow, M. Özgür Celik, Fatih Yergöz, Christof Schütte, Christoph Stein, Marcus Weber, Stefanie Winkelmann |
Modelling altered signalling of G-protein coupled receptors in inflamed environment to advance drug design
|
Scientific Reports, 13(607), 2023 |
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DOI
|
| Luzie Helfmann, Natasa Djurdjevac Conrad, Philipp Lorenz-Spreen, Christof Schütte |
Modelling opinion dynamics under the impact of influencer and media strategies
|
Scientific Reports, Vol.13, p. 19375, 2023 |
BibTeX
arXiv
DOI
|
| Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte |
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
|
Journal of Cheminformatics, Vol.15, 2023 |
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DOI
|
| Mustafa Chaukair, Christof Schütte, Vikram Sunkara |
On the Activation Space of ReLU Equipped Deep Neural Networks
|
Procedia Computer Science, pp. 624-635, Vol.222, 2023 |
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DOI
|
| Andreas Bittracher, Mattes Mollenhauer, Péter Koltai, Christof Schütte |
Optimal Reaction Coordinates: Variational Characterization and Sparse Computation
|
Multiscale Modelling & Simulation, 21(2), pp. 449-488, 2023 |
BibTeX
arXiv
DOI
|
| Christof Schütte, Stefan Klus, Carsten Hartmann |
Overcoming the Timescale Barrier in Molecular Dynamics: Transfer Operators, Variational Principles, and Machine Learning
|
Acta Numerica, Vol.32, pp. 517-673, 2023 (preprint available as ZIB-Report 22-25) |
PDF (ZIB-Report)
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DOI
|
| Alberto Montefusco, Luzie Helfmann, Toluwani Okunola, Stefanie Winkelmann, Christof Schütte |
Partial mean-field model for neurotransmission dynamics
|
Mathematical Biosciences, 2023 (under review) |
BibTeX
arXiv
|
| Ariane Ernst, Nathalie Unger, Christof Schütte, Alexander Walter, Stefanie Winkelmann |
Rate-limiting recovery processes in neurotransmission under sustained stimulation
|
Mathematical Biosciences, Vol.362, 2023 |
BibTeX
arXiv
DOI
|
| Luzie Helfmann, Natasa Djurdjevac Conrad, Philipp Lorenz-Spreen, Christof Schütte |
Supplementary code for the paper Modelling opinion dynamics under the impact of influencer and media strategies
|
2023 |
BibTeX
DOI
|
| Wei Zhang, Christof Schütte |
Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics
|
Proceedings in Applied Mathematics and Mechanics, 2023 (epub ahead of print) |
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DOI
|
2022
|
| Mauricio del Razo, Daniela Frömberg, Arthur Straube, Christof Schütte, Felix Höfling, Stefanie Winkelmann |
A probabilistic framework for particle-based reaction–diffusion dynamics using classical Fock space representations
|
Letters in Mathematical Physics, 112(49), 2022 |
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arXiv
DOI
|
| Kenrick Schulze, Felix Peppert, Christof Schütte, Vikram Sunkara |
Chimeric U-Net–Modifying the standard U-Net towards Explainability
|
bioRxiv, 2022 (under review) |
BibTeX
DOI
|
| Mattes Mollenhauer, Stefan Klus, Christof Schütte, Péter Koltai |
Kernel Autocovariance Operators of Stationary Processes: Estimation and Convergence
|
Journal of Machine Learning Research, 23(327), pp. 1-34, 2022 |
BibTeX
arXiv
|
| Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara |
On the Sufficient Condition for Solving the Gap-Filling Problem Using Deep Convolutional Neural Networks
|
IEEE Transactions on Neural Networks and Learning Systems, 33(11), pp. 6194-6205, 2022 |
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DOI
|
| Wei Zhang, Tiejun Li, Christof Schütte |
Solving eigenvalue PDEs of metastable diffusion processes using artificial neural networks
|
Journal of Computational Physics, Vol.465, 2022 |
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arXiv
DOI
|
| Margarita Kostré, Vikram Sunkara, Christof Schütte, Natasa Djurdjevac Conrad |
Understanding the Romanization Spreading on Historical Interregional Networks in Northern Tunisia
|
Applied Network Science, Vol.7, 2022 (preprint available as ZIB-Report 22-10) |
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DOI
|
| Ariane Ernst, Christof Schütte, Stephan Sigrist, Stefanie Winkelmann |
Variance of filtered signals: Characterization for linear reaction networks and application to neurotransmission dynamics
|
Mathematical Biosciences, Vol.343, 2022 (preprint available as ZIB-Report 21-15) |
PDF (ZIB-Report)
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DOI
|
2021
|
| Andreas Bittracher, Christof Schütte |
A probabilistic algorithm for aggregating vastly undersampled large Markov chains
|
Physica D: Nonlinear Phenomena, Vol.416, 2021 (preprint available as ZIB-Report 20-21) |
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URN
DOI
|
| Jan-Hendrik Niemann, Stefanie Winkelmann, Sarah Wolf, Christof Schütte |
Agent-based modeling: Population limits and large timescales
|
Chaos: An Interdisciplinary Journal of Nonlinear Science, 31(3), 2021 |
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URN
DOI
|
| Alejandro Carderera, Sebastian Pokutta, Christof Schütte, Martin Weiser |
CINDy: Conditional gradient-based Identification of Non-linear Dynamics – Noise-robust recovery
|
Journal of Computational and Applied Mathematics, 2021 (under review) |
BibTeX
arXiv
|
| Margarita Kostre, Christof Schütte, Frank Noé, Mauricio del Razo Sarmina |
Coupling Particle-Based Reaction-Diffusion Simulations with Reservoirs Mediated by Reaction-Diffusion PDEs
|
Multiscale Modeling & Simulation, 19(4), pp. 1659-1683, 2021 |
BibTeX
arXiv
DOI
|
| Jan-Hendrik Niemann, Stefan Klus, Christof Schütte |
Data-driven model reduction of agent-based systems using the Koopman generator
|
PLOS ONE, 16(5), 2021 |
BibTeX
arXiv
DOI
|
| Niklas Wulkow, Péter Koltai, Vikram Sunkara, Christof Schütte |
Data-driven modelling of nonlinear dynamics by barycentric coordinates and memory
|
J. Stat. Phys., 2021 (under review) |
BibTeX
arXiv
|
| Niklas Wulkow, Regina Telgmann, Klaus-Dieter Hungenberg, Christof Schütte, Michael Wulkow |
Deterministic and Stochastic Parameter Estimation for Polymer Reaction Kinetics I: Theory and Simple Examples
|
Macromolecular Theory and Simulations, Vol.30, 2021 |
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DOI
|
| Andreas Bittracher, Stefan Klus, Boumediene Hamzi, Christof Schütte |
Dimensionality Reduction of Complex Metastable Systems via Kernel Embeddings of Transition Manifolds
|
Journal of Nonlinear Science, Vol.31, 2021 |
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DOI
|
| Andreas Bittracher, Johann Moschner, Beate Koksch, Roland Netz, Christof Schütte |
Exploring the locking stage of NFGAILS amyloid fibrillation via transition manifold analysis
|
The European Physical Journal B, Vol.94, 2021 |
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DOI
|
| Patrick Gelss, Stefan Klus, Ingmar Schuster, Christof Schütte |
Feature space approximation for kernel-based supervised learning
|
Knowledge-Based Sytems, Vol.221, 2021 |
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DOI
|
| Luzie Helfmann, Natasa Djurdjevac Conrad, Ana Djurdjevac, Stefanie Winkelmann, Christof Schütte |
From interacting agents to density-based modeling with stochastic PDEs
|
Communications in Applied Mathematics and Computational Science, 16(1), pp. 1-32, 2021 (preprint available as ZIB-Report 19-21) |
PDF (ZIB-Report)
BibTeX
arXiv
DOI
|
| Enric Ribera Borrell, Jannes Quer, Lorenz Richter, Christof Schütte |
Improving control based importance sampling strategies for metastable diffusions via adapted metadynamics
|
ZIB-Report 21-40 |
PDF
BibTeX
|
| Alexia N. Raharinirina, Felix Peppert, Max von Kleist, Christof Schütte, Vikram Sunkara |
Inferring gene regulatory networks from single-cell RNA-seq temporal snapshot data requires higher-order moments
|
Patterns, 2(9), 2021 (preprint available as ZIB-Report 20-25) |
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DOI
|
| Stefanie Winkelmann, Johannes Zonker, Christof Schütte, Natasa Djurdjevac Conrad |
Mathematical modeling of spatio-temporal population dynamics and application to epidemic spreading
|
Mathematical Biosciences, Vol.336, 2021 |
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DOI
arXiv
|
| Niklas Wulkow, Péter Koltai, Christof Schütte |
Memory-Based Reduced Modelling and Data-Based Estimation of Opinion Spreading
|
Journal of Nonlinear Science, Vol.31, 2021 |
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DOI
|
| Sourav Ray, Arne Thies, Vikram Sunkara, Hanna Wulkow, Özgür Celik, Fatih Yergöz, Christof Schütte, Christoph Stein, Marcus Weber, Stefanie Winkelmann |
Modelling altered signalling of G-protein coupled receptors in inflamed environment to advance drug design
|
ZIB-Report 21-19 |
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BibTeX
URN
|
| Mauricio J. del Razo, Manuel Dibak, Christof Schütte, Frank Noé |
Multiscale molecular kinetics by coupling Markov state models and reaction-diffusion dynamics
|
The Journal of Chemical Physics, 155(12), 2021 |
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DOI
|
| Ilja Klebanov, Alexander Sikorski, Christof Schütte, Susanna Röblitz |
Objective priors in the empirical Bayes framework
|
Scandinavian Journal of Statistics, 48(4), pp. 1212-1233, 2021 |
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DOI
|
| Hanna Wulkow, Tim Conrad, Natasa Djurdjevac Conrad, Sebastian A. Müller, Kai Nagel, Christof Schütte |
Prediction of Covid-19 spreading and optimal coordination of counter-measures: From microscopic to macroscopic models to Pareto fronts
|
PLOS One, 16(4), 2021 |
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DOI
|
| Horst-Holger Boltz, Alexei Sirbu, Nina Stelzer, Martin J. Lohse, Christof Schütte, Paolo Annibale |
Quantitative spectroscopy of single molecule interaction times
|
Optic Letters, 46(7), pp. 1538-1541, 2021 |
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DOI
|
| Jan-Hendrik Niemann, Christof Schütte, Stefan Klus |
Simulation data: Data-driven model reduction of agent-based systems using the Koopman generator
|
PLOS ONE, 16(5), 2021 |
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DOI
|
| Luzie Helfmann, Jobst Heitzig, Péter Koltai, Jürgen Kurths, Christof Schütte |
Statistical analysis of tipping pathways in agent-based models
|
Eur. Phys. J. Spec. Top., Vol.230, pp. 3249-3271, 2021 |
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arXiv
DOI
|
| Arthur Straube, Stefanie Winkelmann, Christof Schütte, Felix Höfling |
Stochastic pH oscillations in a model of the urea–urease reaction confined to lipid vesicles
|
J. Phys. Chem. Lett., Vol.12, pp. 9888-9893, 2021 |
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DOI
|
| Alexander Sikorski, Marcus Weber, Christof Schütte |
The Augmented Jump Chain
|
Advanced Theory and Simulations, 4(4), 2021 |
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arXiv
DOI
|
2020
|
| Andreas Bittracher, Christof Schütte |
A weak characterization of slow variables in stochastic dynamical systems
|
Advances in Dynamics, Optimization and Computation.
Series: Studies in Systems, Decision and Control. A volume dedicated to Michael Dellnitz on the occasion of his 60th birthday, Vol.304, pp. 132-150, Oliver Junge, O. Schütze, Gary Froyland, S. Ober-Blobaum, E. Padberg-Gehle (Eds.), Springer International, 2020, ISBN: 978-3-030-51264-4 |
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DOI
|
| Stefan Klus, Feliks Nüske, Sebastian Peitz, Jan-Hendrik Niemann, Cecilia Clementi, Christof Schütte |
Data-driven approximation of the Koopman generator: Model reduction, system identification, and control
|
Physica D: Nonlinear Phenomena, Vol.406, 2020 (epub ahead of print) |
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DOI
|
| Luzie Helfmann, Enric Ribera Borrell, Christof Schütte, Peter Koltai |
Extending Transition Path Theory: Periodically Driven and Finite-Time Dynamics
|
Journal of Nonlinear Science, Vol.30, pp. 3321-3366, 2020 |
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DOI
|
| Sourav Ray, Vikram Sunkara, Christof Schütte, Marcus Weber |
How to calculate pH-dependent binding rates for receptor-ligand systems based on thermodynamic simulations with different binding motifs
|
Molecular Simulation, 46(18), pp. 1443-1452, 2020 (preprint available as ZIB-Report 20-18) |
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DOI
|
| Jan Möller, Ali Isbilir, Titiwat Sungkaworn, Brenda Osberg, Christos Karathanasis, Vikram Sunkara, Eugene O Grushevsky, Andreas Bock, Paolo Annibale, Mike Heilemann, Christof Schütte, Martin J. Lohse |
Single molecule mu-opioid receptor membrane-dynamics reveal agonist-specific dimer formation with super-resolved precision
|
Nature Chemical Biology, Vol.16, pp. 946-954, 2020 |
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DOI
|
| Mattes Mollenhauer, Ingmar Schuster, Stefan Klus, Christof Schütte |
Singular Value Decomposition of Operators on Reproducing Kernel Hilbert Spaces
|
Advances om Dynamics, Optimization and Computation.
Series: Studies in Systems, Decision and Control. A volume dedicated to Michael Dellnitz on his 60th birthday, Vol.304, pp. 109-131, Oliver Junge, O. Schütze, Gary Froyland, S. Ober-Blobaum, K. Padberg-Gehle (Eds.), Springer International, 2020, ISBN: 978-3-030-51264-4 |
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DOI
|
|
Stefanie Winkelmann,
Christof Schütte
|
Stochastic Dynamics in Computational Biology
|
Springer International Publishing, 2020, ISBN: 978-3-030-62386-9 |
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DOI
|
| Fabian Becker, Natasa Djurdjevac Conrad, Raphael A. Eser, Luzie Helfmann, Brigitta Schütt, Christof Schütte, Johannes Zonker |
The Furnace and the Goat—A spatio-temporal model of the fuelwood requirement for iron metallurgy on Elba Island, 4th century BCE to 2nd century CE
|
PLOS ONE, Vol.15, pp. 1-37, 2020 |
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DOI
|
2019
|
| Pooja Gupta, Sarah Peter, Markus Jung, Astrid Lewin, Georg Hemmrich-Stanisak, Andre Franke, Max von Kleist, Christof Schütte, Ralf Einspanier, Soroush Sharbati, Jennifer zur Bruegge |
Analysis of long non-coding RNA and mRNA expression in bovine macrophages brings up novel 2 aspects of Mycobacterium avium subspecies paratuberculosis infections
|
Scientific Reports in Nature, Vol.9, 2019 |
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DOI
|
| Borong Shao, Maria Bjaanaes, Aslaug Helland, Christof Schütte, Tim Conrad |
EMT network-based feature selection improves prognosis prediction in lung adenocarcinoma
|
PLOS ONE, 14(1), 2019 |
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DOI
|
| Carsten Hartmann, Christof Schütte, Wei Zhang |
Jarzynski's equality, fluctuation theorems, and variance reduction: Mathematical analysis and numerical algorithms
|
Journal of Statistical Physics, 175(6), pp. 1214-1261, 2019 |
BibTeX
arXiv
DOI
|
| Wei Zhang, Stefan Klus, Tim Conrad, Christof Schütte |
Learning chemical reaction networks from trajectory data
|
SIAM Journal on Applied Dynamical Systems (SIADS), 18(4), pp. 2000-2046, 2019 |
BibTeX
arXiv
DOI
|
| Robert Schulz, Kenji Yamamoto, André Klossek, Fiorenza Rancan, Annika Vogt, Christof Schütte, Eckart Rühl, Roland R. Netz |
Modeling of Drug Diffusion Based on Concentration Profiles in Healthy and Damaged Human Skin
|
Biophysical Journal, 117(5), pp. 998-1008, 2019 |
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DOI
|
| Patrick Gelß, Stefan Klus, Jens Eisert, Christof Schütte |
Multidimensional Approximation of Nonlinear Dynamical Systems
|
Journal of Computational and Nonlinear Dynamics, 14(6), 2019 |
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DOI
|
2018
|
| Stefan Klus, Andreas Bittracher, Ingmar Schuster, Christof Schütte |
A kernel-based approach to molecular conformation analysis
|
Journal of Chemical Physics, 149(24), 2018 |
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DOI
|
| Péter Koltai, Christof Schütte |
A multiscale perturbation expansion approach for Markov state modeling of non-stationary molecular dynamics
|
SIAM J. Multiscale Model. Simul., 16(4), pp. 1455-1485, 2018 (preprint available as ZIB-Report 17-49) |
PDF (ZIB-Report)
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DOI
|
| Stefan Klus, Feliks Nüske, Peter Koltai, Hao Wu, Ioannis Kevrekidis, Christof Schütte, Frank Noé |
Data-driven model reduction and transfer operator approximation
|
Journal of Nonlinear Science, 28(3), pp. 985-1010, 2018 |
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DOI
|
| Natasa Djurdjevac Conrad, Luzie Helfmann, Johannes Zonker, Stefanie Winkelmann, Christof Schütte |
Human mobility and innovation spreading in ancient times: a stochastic agent-based simulation approach
|
EPJ Data Science, 7(1), 2018 |
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DOI
|
| Manuel Dibak, Mauricio J. del Razo, David de Sancho, Christof Schütte, Frank Noé |
MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations
|
Journal of Chemical Physics, 148(21), 2018 |
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DOI
|
| Manuel Dibak, Mauricio J. del Razo, David De Sancho, Christof Schütte, Frank Noé |
MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations
|
Journal of Chemical Physics, 148(214107), 2018 |
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DOI
|
| Natasa Djurdjevac Conrad, Daniel Fuerstenau, Ana Grabundzija, Luzie Helfmann, Martin Park, Wolfram Schier, Brigitta Schütt, Christof Schütte, Marcus Weber, Niklas Wulkow, Johannes Zonker |
Mathematical modeling of the spreading of innovations in the ancient world
|
eTopoi. Journal for Ancient Studies, Vol.7, 2018 |
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DOI
|
| Giovanni Ciccotti, Mauro Ferrario, Christof Schütte |
Molecular Dynamics vs. Stochastic Processes: Are We Heading Anywhere?
|
Special Issue: Understanding Molecular Dynamics via Stochastic Processes, Entropy, 20(5), 2018 |
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DOI
|
| Peter Koltai, Hao Wu, Frank Noé, Christof Schütte |
Optimal data-driven estimation of generalized Markov state models for non-equilibrium dynamics
|
Computation, 6(1), 2018 |
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DOI
|
| Max von Kleist, Christof Schütte, Wei Zhang |
Statistical analysis of the first passage path ensemble of jump processes
|
Journal of Statistical Physics, Vol.170, pp. 809-843, 2018 |
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DOI
|
| Stefan Klus, Patrick Gelß, Sebastian Peitz, Christof Schütte |
Tensor-based dynamic mode decomposition
|
Nonlinearity, 31(7), 2018 |
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DOI
|
| Andreas Bittracher, Péter Koltai, Stefan Klus, Ralf Banisch, Michael Dellnitz, Christof Schütte |
Transition manifolds of complex metastable systems: Theory and data-driven computation of effective dynamics
|
Jounal of Nonlinear Science, 28(2), pp. 471-512, 2018 (preprint available as ZIB-Report 17-22) |
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DOI
|
2017
|
| Andreas Bittracher, Ralf Banisch, Christof Schütte |
Data-driven Computation of Molecular Reaction Coordinates
|
ZIB-Report 17-77 |
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URN
|
| Stefanie Winkelmann, Christof Schütte |
Hybrid models for chemical reaction networks: Multiscale theory and application to gene regulatory systems
|
The Journal of Chemical Physics, 147(11), pp. 114115-1-114115-18, 2017 (preprint available as ZIB-Report 17-29) |
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PDF (ZIB-Report)
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DOI
|
| Carsten Hartmann, Christof Schütte, Marcus Weber, Wei Zhang |
Importance sampling in path space for diffusion processes with slow-fast variables
|
Probability Theory and Related Fields, pp. 1-52, 2017 |
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DOI
|
| Pooja Gupta, Annika Gramatke, Ralf Einspanier, Christof Schütte, Max von Kleist, Jutta Sharbati |
In silico cytotoxicity assessment on cultured rat intestinal cells deduced from cellular impedance measurements
|
Toxicology in Vitro, Vol.41, pp. 179-188, 2017 (preprint available as ZIB-Report 17-08) |
PDF (ZIB-Report)
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|
| Wei Zhang, Christof Schütte |
Reliable approximation of long relaxation timescales in molecular dynamics
|
Entropy, 19(7), 2017 (preprint available as ZIB-Report 17-19) |
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DOI
|
| Andreas Benn, Christian Hiepen, Marc Osterland, Christof Schütte, An Zwijsen, Petra Knaus |
Role of bone morphogenetic proteins in sprouting angiogenesis: differential BMP receptor-dependent signaling pathways balance stalk vs. tip cell competence
|
FASEB Journal, 31(11), pp. 4720-4733, 2017 |
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DOI
|
| Marcus Weber, Konstantin Fackeldey, Christof Schütte |
Set-Free Markov State Model Building
|
Journal of Chemical Physics, 146(12), 2017 (preprint available as ZIB-Report 17-10) |
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DOI
|
| Rudolf Huttary, Leonid Goubergrits, Christof Schütte, Stefan Bernhard |
Simulation, Identification and Statistical Variation in Cardiovascular Analysis (SISCA) - a Software Framework for Multi-compartment Lumped Modeling
|
Computers in Biology and Medicine, Vol.87, pp. 104-123, 2017 |
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DOI
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| Tim Conrad, Martin Genzel, Nada Cvetkovic, Niklas Wulkow, Alexander Benedikt Leichtle, Jan Vybiral, Gitta Kytyniok, Christof Schütte |
Sparse Proteomics Analysis – a compressed sensing-based approach for feature selection and classification of high-dimensional proteomics mass spectrometry data
|
BMC Bioinfomatics, 18(160), 2017 |
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DOI
|
| S. Rüdrich, Marco Sarich, Christof Schütte |
Utilizing hitting times for finding metastable sets in non-reversible Markov chains
|
Journal of Comp. Dynamics, 2017 (under review, preprint available as ZIB-Report 14-32) |
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|
| Carsten Hartmann, Lorenz Richter, Christof Schütte, Wei Zhang |
Variational characterization of free energy: theory and algorithms
|
Entropy, 19(11), 2017 (preprint available as ZIB-Report 17-52) |
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DOI
|
2016
|
| Wei Zhang, Carsten Hartmann, Christof Schütte |
Effective dynamics along given reaction coordinates, and reaction rate theory
|
Faraday Discussions, pp. 365-394, 2016 (preprint available as ZIB-Report 16-35) |
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DOI
|
| Ilja Klebanov, Alexander Sikorski, Christof Schütte, Susanna Röblitz |
Empirical Bayes Methods for Prior Estimation in Systems Medicine
|
ZIB-Report 16-57 |
PDF
BibTeX
URN
arXiv
|
| Ilja Klebanov, Alexander Sikorski, Christof Schütte, Susanna Röblitz |
Empirical Bayes Methods, Reference Priors, Cross Entropy and the EM Algorithm
|
ZIB-Report 16-56 |
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BibTeX
URN
|
| 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) |
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DOI
|
| Iliusi Vega, Christof Schütte, Tim Conrad |
Finding metastable states in real-world time series with recurrence networks
|
Physica A: Statistical Mechanics and its Applications, Vol.445, pp. 1-17, 2016 |
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DOI
|
| Raheem Gul, Christof Schütte, Stefan Bernhard |
Mathematical modeling and sensitivity analysis of arterial anastomosis in arm arteries
|
Applied Mathematical Modelling, 2016 (preprint available as ZIB-Report 15-22) |
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DOI
|
| Carsten Hartmann, Christof Schütte, Wei Zhang |
Model reduction algorithms for optimal control and importance sampling of diffusions
|
Nonlinearity, 29(8), pp. 2298-2326, 2016 |
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DOI
|
| Peter Koltai, Giovanni Ciccotti, Christof Schütte |
On Markov state models for non-equilibrium molecular dynamics
|
The Journal of Chemical Physics, 145(174103), 2016 (preprint available as ZIB-Report 16-11) |
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DOI
|
| Stefan Klus, Peter Koltai, Christof Schütte |
On the numerical approximation of the Perron-Frobenius and Koopman operator
|
Journal of Computational Dynamics, 3(1), pp. 51-77, 2016 |
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DOI
|
| Ilja Klebanov, Alexander Sikorski, Christof Schütte, Susanna Röblitz |
Prior estimation and Bayesian inference from large cohort data sets
|
ZIB-Report 16-09 |
PDF
PDF
BibTeX
URN
|
| Patrick Gelß, Sebastian Matera, Christof Schütte |
Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model
|
Journal of Computational Physics, Vol.314, pp. 489-502, 2016 |
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DOI
|
| Stefanie Winkelmann, Christof Schütte |
The Spatiotemporal Master Equation: Approximation of Reaction-Diffusion Dynamics via Markov State Modeling
|
Journal of Chemical Physics, 145(21), 2016 (preprint available as ZIB-Report 16-60) |
PDF
PDF (ZIB-Report)
BibTeX
DOI
|
| Stefan Klus, Christof Schütte |
Towards tensor-based methods for the numerical approximation of the Perron-Frobenius and Koopman operator
|
Journal of Computational Dynamics, 3(2), pp. 139-161, 2016 |
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DOI
|
2015
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| Christof Schütte, Marco Sarich |
A Critical Appraisal of Markov State Models
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The European Physical Journal Special Topics, 224(12), pp. 2445-2462, 2015 (preprint available as ZIB-Report 15-18) |
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| Christian Tobias Willenbockel, Christof Schütte |
A Variational Bayesian Algorithm for Clustering of Large and Complex Networks
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ZIB-Report 15-25 |
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| Marta Enciso, Christof Schütte, Luigi Delle Site |
Influence of pH and sequence in peptide aggregation via molecular simulation
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Journal of Chemical Physics, 143(24), 2015 (preprint available as ZIB-Report 15-42) |
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| Christof Schütte, Adam Nielsen, Marcus Weber |
Markov State Models and Molecular Alchemy
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Molecular Physics, 113(1), pp. 69-78, 2015 (preprint available as ZIB-Report 14-05) |
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| Natasa Djurdjevac Conrad, Ralf Banisch, Christof Schütte |
Modularity of Directed Networks: Cycle Decomposition Approach
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Journal of Computational Dynamics 2 (2015) pp. 1-24, 2015 (preprint available as ZIB-Report 14-31) |
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| Sulav Duwal, Stefanie Winkelmann, Christof Schütte, Max von Kleist |
Optimal Treatment Strategies in the Context of 'Treatment for Prevention' against HIV/1 in Resource-Poor Settings
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PloS Computational Biology, 11(4), 2015 |
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| Ralf Banisch, Natasa Djurdjevac Conrad, Christof Schütte |
Reactive flows and unproductive cycles for random walks on complex networks
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The European Physical Journal Special Topics, vol. 224, iss. 12 (2015) pp. 2369-2387, 2015 (preprint available as ZIB-Report 15-19) |
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| Marc Osterland, Andreas Benn, Steffen Prohaska, Christof Schütte |
Single Cell Tracking in Phase-Contrast Microscopy
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EMBL Symposium 2015 - Seeing is Believing - Imaging the Processes of Life, 2015 |
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| Ivan Kryven, Susanna Röblitz, Christof Schütte |
Solution of the chemical master equation by radial basis functions approximation with interface tracking
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BMC Systems Biology, 9(67), pp. 1-12, 2015 |
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| Patrick Gelß, Sebastian Matera, Christof Schütte |
Solving the master equation without kinetic Monte Carlo: tensor train approximations for a CO oxidation model
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ZIB-Report 15-41 |
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2014
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| Alexander Bockmayr, Heike Siebert, Susanna Röblitz, Christof Schütte, Peter Deuflhard |
Advanced mathematical modeling in systems biology
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MATHEON-Mathematics for Key Technologies, Vol.1, pp. 29-44, Peter Deuflhard, Martin Grötschel, Dietmar Hömberg, Jürg Kramer, Volker Mehrmann, Konrad Polthier, Frank Schmidt, Christof Schütte, Martin Skutela, Jürgen Sprekels (Eds.), European Mathematical Society, 2014 |
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| Wei Zhang, Han Wang, Carsten Hartmann, Marcus Weber, Christof Schütte |
Applications of the cross-entropy method to importance sampling and optimal control of diffusions
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Siam Journal on Scientific Computing, 36(6), pp. A2654-A2672, 2014 (preprint available as ZIB-Report 14-10) |
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| Han Wang, Christof Schütte |
Building Markov State Models for Periodically Driven Non-Equilibrium Systems
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ZIB-Report 14-46 |
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| Animesh Agarwal, Han Wang, Christof Schütte, Luigi Delle Site |
Chemical potential of liquids and mixtures via Adaptive Resolution Simulation
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The Journal of Chemical Physics, Vol.141, p. 034102, 2014 (preprint available as ZIB-Report 14-25) |
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| Christof Schütte, Peter Deuflhard, Frank Noé, Marcus Weber |
Design of functional molecules
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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 |
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| Han Wang, Christof Schütte, Giovanni Ciccotti, Luigi Delle Site |
Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation
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Journal of Chemical Theory and Computation, 10(4), pp. 1376-1386, 2014 |
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| Han Wang, Christof Schütte, Giovanni Ciccotti, Max von Kleist |
Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation
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Journal of Chemical Theory and Computation, 10(4), pp. 1376-1386, 2014 |
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| Peter Deuflhard, Christof Schütte |
Life Sciences
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MATHEON-Mathematics for Key Technologies, Vol.1, pp. 1-5, 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 |
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|
MATHEON - Mathematics for Key Technologies
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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, ISBN: 978-3-03719-137-8 |
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| Stefanie Winkelmann, Christof Schütte, Max von Kleist |
Markov Control Processes with Rare State Observation: Theory and Application to Treatment Scheduling in HIV-1
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Communications in Mathematical Sciences, 12(5), pp. 859-877, 2014 (preprint available as ZIB-Report 13-34) |
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| Marco Sarich, Christof Schütte |
Markov Model Theory
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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 |
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| Pooja Gupta, Carola Krause, Paul Rikeit, Susanna Röblitz, Petra Knaus, Christof Schütte |
Modeling of the BMP mediated co-regulation of the Smad and Non-Smad pathways in the context of cell density
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10th International BMP conference, 2014, Berlin, Germany, 2014 |
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| Marco Sarich, Natasa Djurdjevac Conrad, Sharon Bruckner, Tim Conrad, Christof Schütte |
Modularity revisited: A novel dynamics-based concept for decomposing complex networks
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Journal of Computational Dynamics, 1(1), pp. 191-212, 2014 |
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| Ralf Banisch, Christof Schütte, Natasa Djurdjevac Conrad |
Module Detection in Directed Real-World Networks
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ZIB-Report 14-13 |
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Molecular Dynamics Simulation
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Giovanni Ciccotti, Mauro Ferrario, Christof Schütte (Eds.), Multidisciplinary Digital Publishing Institute (MDPI), 2014 |
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| Iliusi Vega, Christof Schütte, Tim Conrad |
SAIMeR: Self-adapted method for the identification of metastable states in real-world time series
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ZIB-Report 14-16 |
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| Christof Schütte, Tim Conrad |
Showcase 3: Information-based medicine
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MATHEON-Mathematics for Key Technologies, Vol.1, pp. 66-67, Peter Deuflhard, Martin Grötschel, Dietmar Hömberg, Ulrich Horst, Jürg Kramer, Volker Mehrmann, Konrad Polthier, Frank Schmidt, Martin Skutella, Jürgen Sprekels (Eds.), European Mathematical Society, 2014 |
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2013
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| Marta Enciso, Christof Schütte, Luigi Delle Site |
A pH-dependent coarse-grained model for peptides
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Soft Matter, 9(26), pp. 6118-6127, 2013 |
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| Marta Enciso, Christof Schütte, Luigi Delle Site |
A pH-dependent coarse-grained model of peptides
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Soft Matter, 9(26), pp. 6118-6127, 2013 |
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| Florian Paulus, Maximilian Weiss, Dirk Steinhilber, Anatoly Nikitin, Christof Schütte, Rainer Haag |
Anionic Ring-Opening Polymerization Simulations for Hyperbranched Polyglycerols with Defined Molecular Weights
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Macromolecules, 46(21), pp. 8458-8466, 2013 |
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| Carsten Hartmann, Ralf Banisch, Marco Sarich, Thomas Badowski, Christof Schütte |
Characterization of Rare Events in Molecular Dynamics
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Entropy (Special Issue), 16(1), pp. 350-376, 2013 (preprint available as ZIB-Report 13-51) |
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| Han Wang, Carsten Hartmann, Christof Schütte, Luigi Delle Site |
Grand-canonical-like molecular-dynamics simulations by using an adaptive-resolution technique
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Phys. Rev. X, Vol.3, p. 011018, 2013 |
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| Barbara Rath, Kaveh Yousef, D. Katzenstein, R. Shafer, Christof Schütte, Max von Kleist, T. Merigan |
HIV-1 Evolution in Response to Triple Reverse Transcriptase Inhibitor Induced Selective Pressure in vitro
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PLoS ONE, 8(4), 2013 |
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| Han Wang, Carsten Hartmann, Christof Schütte |
Linear response theory and optimal control for a molecular system under nonequilibrium conditions
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Molecular Physics, Vol.111, pp. 3555-3564, 2013 (preprint available as ZIB-Report 13-33) |
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| Stefanie Winkelmann, Christof Schütte, Max von Kleist |
Markov Control Processes with Rare State Observation: Sensitivity Analysis with Respect to Optimal Treatment Strategies against HIV-1
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International Journal of Biomathematics and Biostatistics, 2(1), 2013 |
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| Marco Sarich, Ralf Banisch, Carsten Hartmann, Christof Schütte |
Markov State Models for Rare Events in Molecular Dynamics
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Entropy (Special Issue), 16(1), pp. 258-286, 2013 (preprint available as ZIB-Report 13-52) |
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| Pooja Gupta, Susanna Röblitz, Carola Krause, Petra Knaus, Christof Schütte |
Mathematical modeling of the Smad and Non-Smad BMP signaling pathways in context of cell density
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Computational Models in biology and medicine, 2013, Dresden, Germany, 2013 |
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| Christof Schütte, Marco Sarich |
Metastability and Markov State Models in Molecular Dynamics: Modeling, Analysis, Algorithmic Approaches
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American Mathematical Society, 2013 |
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| B. A. Nikitin, Michael Wulkow, Christof Schütte |
Modeling of Free Radical Styrene/Divinylbenzene Copolymerization with the Numerical Fractionation Technique
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Macromolecular Theory and Simulation, 22(9), pp. 475-489, 2013 |
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| Marta Enciso, Christof Schütte, Luigi Delle Site |
pH-dependent Response of Coiled Coils: A Coarse-Grained Molecular Simulation Study
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Molecular Physics, 111(22-23), pp. 3363-3371, 2013 |
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2012
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| Han Wang, Christof Schütte, Luigi Delle Site |
Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion.
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J. Chem. Theo. Comp., 8(8), pp. 2878-2887, 2012 |
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| Marco Sarich, Christof Schütte |
Approximating Selected Non-dominant Timescales by Markov State Models
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Comm. Math. Sci., 10(3), pp. 1001-1013, 2012 |
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| M. Senne, B. Trendelkamp-Schroer, A. Mey, Christof Schütte, Frank Noé |
EMMA - A software package for Markov model building and analysis
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Journal of Chemical Theory and Computation, Vol.8, pp. 2223-2238, 2012 |
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| Carsten Hartmann, Christof Schütte |
Efficient rare event simulation by optimal nonequilibrium forcing
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J. Stat. Mech. Theor. Exp., Vol.2012, p. P11004, 2012 |
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| Han Wang, Christof Schütte, P. Zhang |
Error Estimate of Short-Range Force Calculation in the Inhomogeneous Molecular Systems
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Phys. Rev. E, 86(02), p. 026704, 2012 |
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| Maximilian Weiss, Florian Paulus, D. Steinhilber, Anatoly Nikitin, Rainer Haag, Christof Schütte |
Estimating Kinetic Parameters for the Spontaneous Polymerization of Glycidol at Elevated Temperatures
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MACROMOLECULAR THEORY and SIMULATIONS, 21(7), pp. 470-481, 2012 |
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| Natasa Djurdjevac Conrad, Marco Sarich, Christof Schütte |
Estimating the eigenvalue error of Markov State Models
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Multiscale Modeling & Simulation, 10(1), pp. 61-81, 2012 |
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| Stephan Menz, J. Latorre, Christof Schütte, Wilhelm Huisinga |
Hybrid Stochastic--Deterministic Solution of the Chemical Master Equation
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SIAM Interdisciplinary Journal Multiscale Modeling and Simulation (MMS), 10(4), pp. 1232-1262, 2012 |
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| Stephan Aiche, Knut Reinert, Christof Schütte, Diana Hildebrand, Hartmut Schlüter, Tim Conrad |
Inferring Proteolytic Processes from Mass Spectrometry Time Series Data Using Degradation Graphs
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PLoS ONE, 7(7), p. e40656, 2012 |
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| Stefanie Winkelmann, Christof Schütte, Max von Kleist |
Markov Control Processes with Rare State Observation
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Communications in Mathematical Sciences, 12(859), 2012 |
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| Stefanie Winkelmann, Christof Schütte, Max von Kleist |
Markov Control with Rare State Observation
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International Journal of Biomathematics and Biostatistics, 2012 |
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| Han Wang, P. Zhang, Christof Schütte |
On the Numerical Accuracy of Ewald, Smooth Particle Mesh Ewald, and Staggered Mesh Ewald Methods for Correlated Molecular Systems
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J. Chem. Theo. Comp., 8(9), pp. 3243-3256, 2012 |
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| Christof Schütte, Stefanie Winkelmann, Carsten Hartmann |
Optimal control of molecular dynamics using Markov state models
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Math. Program. (Series B), 134(1), pp. 259-282, 2012 |
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| Sulav Duwal, Christof Schütte, Max von Kleist |
Pharmacokinetics and Pharmacodynamics of the Reverse Transcriptase Inhibitor Tenofovir & Prophylactic Efficacy against HIV-1 Infection.
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PLoS One, 7(7), p. e40382, 2012 |
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| Max von Kleist, Ph. Metzner, R. Marquet, Christof Schütte |
Polymerase Inhibition by Nucleoside Analogs
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Plos Computational Biology, 8(1), p. e1002359, 2012 |
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| Natasa Djurdjevac Conrad, Stefanie Bruckner, Tim Conrad, Christof Schütte |
Random Walks on Complex Modular Networks
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Journal of Numerical Analysis, Industrial and Applied Mathematics, 6(1-2), pp. 29-50, 2012 |
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| E. Meerbach, J. Latorre, Christof Schütte |
Sequential Change Point Detection in Molecular Dynamics Trajectories
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Multicale Model. Sim., 10(4), pp. 1263-1291, 2012 |
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2011
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| J. Latorre, Ph. Metzner, Carsten Hartmann, Christof Schütte |
A Structure-preserving numerical discretization of reversible diffusions
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Commun. Math. Sci., 9(4), pp. 1051-1072, 2011 |
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| B. Schäfer-Bung, Carsten Hartmann, Burkhard Schmidt, Christof Schütte |
Dimension reduction by balanced truncation
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J. Chem. Phys., 135(1), p. 014112, 2011 |
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| Max von Kleist, Stephan Menz, Hartmut Stocker, Keikawus Arasteh, Wilhelm Huisinga, Christof Schütte |
HIV Quasispecies Dynamics during Pro-active Treatment Switching
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Plos One, 6(3), p. e18204, 2011 |
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| Christof Schütte, Frank Noé, Jianfeng Lu, Marco Sarich, E. Vanden-Eijnden |
Markov State Models Based on Milestoning
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J. Chem. Phys., 134(20), p. 204105, 2011 |
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| J.-H. Prinz, Hao Wu, Marco Sarich, B. Keller, M. Fischbach, M. Held, J. Chodera, Christof Schütte, Frank Noé |
Markov models of molecular kinetics
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J. Chem. Phys., Vol.134, p. 174105, 2011 |
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| M. Frank, Max von Kleist, A. Kunz, G. Harms, Christof Schütte, Ch. Kloft |
Quantifying the impact of nevirapine-based prophylaxis strategies to prevent mother-to-child transmission of HIV-1
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Antimicrob. Agents Chemother., 55(12), pp. 5529-5540, 2011 |
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| Stefan Bernhard, Kristine Al Zoukra, Christof Schütte |
Statistical parameter estimation and signal classification in cardiovascular diagnosis
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Modelling in Medicine and Biology, I. Knets, C. Brebbia, R. Miftahof, V. Kasyanov, V. Popov (Eds.), WIT Press: Southampton & Boston, 2011 |
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2010
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| Christof Schütte, Michael Wulkow |
A Hybrid Galerkin-Monte-Carlo Approach to Higher-Dimensional Population Balances in Polymerization Kinetics
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Macromol. React. Eng., 4(9-10), pp. 562-577, 2010 |
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| Christof Schütte, Michael Wulkow |
A hybrid Galerkin-Monte-Carlo approach to higher-dimensional population balances in polymerization kinetics
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Macromol. React. Eng., Vol.4, pp. 562-577, 2010 |
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| Carsten Hartmann, V.-M. Vulcanov, Christof Schütte |
Balanced Truncation of Second Order Systems
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Multiscale Model. Simul., 8(4), pp. 1348-1367, 2010 |
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| J. Latorre, Carsten Hartmann, Christof Schütte |
Free energy computation by controlled Langevin processes
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Procedia Computer Science, 1(1), pp. 1591-1600, 2010 |
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| Stefan Bernhard, Kristine Al Zoukra, Christof Schütte |
From non-invasive hemodynamic measurements towards patient-specific cardiovascular diagnosis
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Quality Assurance in Healthcare Service Delivery, Nursing and Personalized Medicine, A. Daskalaki, A. Lazakidou (Eds.), Hershey, PA: Medical Information Science Reference, 2010 |
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| Ondrej Marsalek, Tomaso Frigato, Joost VandeVondele, Stephen E. Bradforth, Burkhard Schmidt, Christof Schütte, Pavel Jungwirth |
Hydrogen Forms in Water by Proton Transfer to a Distorted Electron
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J. Phys. Chem. B, 114(2), pp. 915-920, 2010 |
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| Ph. Metzner, Marcus Weber, Christof Schütte |
Observation uncertainty in reversible Markov chains
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Phys. Rev. E, 82(3), p. 031114, 2010 |
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| Natasa Djurdjevac Conrad, Marco Sarich, Christof Schütte |
On Markov State Models for Metastable Processes
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Proceedings of the International Congress of Mathematics, Hyderabad, India, Section Invited Talks. (ICM) 2010, 2010 |
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| Illia Horenko, Christof Schütte |
On metastable conformational analysis of non-equilibrium biomolecular time series
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Multiscale Modeling & Simulation, 8(2), pp. 701-716, 2010 |
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| Marco Sarich, Frank Noé, Christof Schütte |
On the Approximation Quality of Markov State Models
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Multiscale Model. Simul., 8(4), pp. 1154-1177, 2010 |
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| Carsten Hartmann, Christof Schütte, Giovanni Ciccotti |
On the linear response of mechanical systems with constraints
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J. Chem. Phys., 132(11), p. 111103, 2010 |
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| Marco Sarich, Christof Schütte, E. Vanden-Eijnden |
Optimal Fuzzy Aggregation of Networks
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Multiscale Modeling and Simulation, 8(4), pp. 1535-1561, 2010 |
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2009
|
| Ch. Gräfe, Christof Schütte, V. Nordmeier |
"Learner as creator" - SchülerInnen generieren eigene Lernspiele
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Didaktik der Physik - Bochum 2009, Lehmanns Media: Berlin, 2009 |
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| Ch. Gräfe, V. Nordmeier, Christof Schütte |
Computerspiel zum Thema Moleküldynamik für Schüler der 7.-10. Klasse, Experimentelles Protyping zur Entwicklung eines Lernspiels
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Jahrestagung 2008 der GDCP (Gesellschaft für Didaktik der Chemie und Physik), Vol.1, pp. 77-79, 2009 |
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| Christof Schütte, Frank Noé, E. Meerbach, Ph. Metzner, Carsten Hartmann |
Conformation Dynamics
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Proceedings of the 6th International Congress on Industrial and Applied Mathematics, I. Jeltsch and G. Wanner (eds.),, pp. 297-335, 2009 |
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| Frank Noé, Christof Schütte, E. Vanden-Eijnden, L. Reich, T. Weikl |
Constructing the Full Ensemble of Folding Pathways from Short Off-Equilibrium Simulations
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Proc. Natl. Acad. Sci. USA, 106(45), pp. 19011-19016, 2009 |
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| Ph. Metzner, Frank Noé, Christof Schütte |
Estimating the Sampling Error
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Phys. Rev. E, 80(2), p. 021106, 2009 |
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| Carsten Hartmann, Christof Schütte, G. Kalibaeva, M. Pierro, Giovanni Ciccotti |
Fast Simulation of Polymer Chains
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J. Chem. Phys., Vol.130, p. 144101, 2009 |
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| Georg Martin Fiedler, Alexander Benedikt Leichtle, Julia Kase, Sven Baumann, Uta Ceglarek, Klaus Felix, Tim Conrad, Helmut Witzigmann, Arved Weimann, Christof Schütte, Johann Hauss, Markus Büchler, Joachim Thiery |
Serum Peptidome Profiling Revealed Platelet Factor 4 as a Potential Discriminating Peptide Associated With Pancreatic Cancer
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Clinical Cancer Research, 15(11), pp. 3812-3819, 2009 |
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| Christof Schütte, Tobias Jahnke |
Towards Effective Dynamics in Complex Systems by Markov Kernel Approximation
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Mathematical Modelling and Numerical Analysis (ESAIM), 43(4), pp. 721-742, 2009 |
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| Ph. Metzner, Christof Schütte, E. Vanden-Eijnden |
Transition Path Theory for Markov Jump Processes
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Mult. Mod. Sim., 7(3), pp. 1192-1219, 2009 |
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2008
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| Tomaso Frigato, Joost VandeVondele, Burkhard Schmidt, Christof Schütte, Pavel Jungwirth |
Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion
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J. Phys. Chem. A, 112(27), pp. 6125-6133, 2008 |
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| Illia Horenko, Rupert Klein, S. Dolaptchiev, Christof Schütte |
Automated Generation of Reduced Stochastic Weather Models I
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Mult. Mod. Sim., 6(4), pp. 1125-1145, 2008 |
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| Carsten Hartmann, Christof Schütte |
Balancing of partially-observed stochastic differential equations
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47th IEEE Conference on Decision and Control, pp. 4867-4872, 2008 |
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| Illia Horenko, Christof Schütte |
Dimension Reduction for Time Series with Hidden Phase Transitions and Economic Applications
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Adv. Data Anal. Class., submitted, 2008 |
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| Illia Horenko, Christof Schütte |
Likelihood-Based Estimation of Multidimensional Langevin Models and its Application to Biomolecular Dynamics
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Mult. Mod. Sim., 7(2), pp. 731-773, 2008 |
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| Illia Horenko, E. Dittmer, F. Lankas, J. Maddocks, Ph. Metzner, Christof Schütte |
Macroscopic Dynamics of Complex Metastable Systems
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J. Appl. Dyn. Syst., 7(2), pp. 532-560, 2008 |
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| E. Meerbach, Christof Schütte |
Sequential Change Point Detection in Molecular Dynamics Trajectories
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Journal of Multivariate Analysis, submitted, 2008 |
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| Elmar Diederichs, A. Juditski, V. Spokoiny, Christof Schütte |
Sparse Non-Gaussian Component Analysis
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IEEE Transactions on Information Theory, submitted, 2008 |
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| Ch. Gräfe, Christof Schütte, V. Nordmeier |
Spielend lernen - ein Online-Computerspiel zur Moleküldynamik
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Didaktik der Physik ?, Lehmanns Media: Berlin, 2008 |
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2007
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| Frank Noé, J. Smith, Christof Schütte |
A network-based approach to biomolecular dynamics
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From Computational Biophysics to Systems Biology (CBSB07). Editors, Vol.NIC Series 36, 2007 |
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| Carsten Hartmann, Christof Schütte |
Comment on Two Distinct Notions of Free Energy
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Physica D, 228(1), pp. 59-63, 2007 |
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| M. Held, E. Meerbach, S. Hinderlich, W. Reutter, Christof Schütte |
Conformational Studies of UDP-GlcNAc in Environments of Increasing Complexity
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From Computational Biophysics to Systems Biology, U. Hansmann, J. Meinke, S. Mohanty, O. Zimmermann (Eds.), pp. 145-148, Vol.36, NIC Series, 2007 |
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| Illia Horenko, Carsten Hartmann, Christof Schütte, Frank Noé |
Data-based Parameter Estimation of Generalized Multidimensional Langevin Processes
|
Phys. Rev. E, 76(01), p. 016706, 2007 |
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| S. Lorenz, Elmar Diederichs, R. Telgmann, Christof Schütte |
Discrimination of Dynamical System Models for Biological and Chemical Processes
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J. Comp. Chem., 28(8), pp. 1384-1399, 2007 |
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| Ph. Metzner, E. Dittmer, Tobias Jahnke, Christof Schütte |
Generator Estimation of Markov Jump Processes
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J. Comp. Phys., 227(1), pp. 353-375, 2007 |
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| Ph. Metzner, Illia Horenko, Christof Schütte |
Generator Estimation of Markov Jump Processes Based on Incomplete Observations Nonequidistant in Time
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Phys. Rev. E, 76(06), p. 066702, 2007 |
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| Frank Noé, Illia Horenko, Christof Schütte, J. Smith |
Hierarchical Analysis of Conformational Dynamics in Biomolecules
|
J. Chem. Phys., 126(15), p. 155102, 2007 |
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| Alexander Fischer, S. Waldhausen, Illia Horenko, E. Meerbach, Christof Schütte |
Identification of Biomolecular Conformations from Incomplete Torsion Angle Observations by Hidden Markov Models
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J. Comp. Chem., 28(15), pp. 2453-2464, 2007 |
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| E. Meerbach, Christof Schütte, Illia Horenko, Burkhard Schmidt |
Metastable Conformational Structure and Dynamics
|
Analysis and Control of Ultrafast Photoinduced Reactions, O. Kühn, L. Wöste (Eds.), Springer: Berlin, pp. 796-806, 2007 |
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2006
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| Illia Horenko, E. Dittmer, Alexander Fischer, Christof Schütte |
Automated Model Reduction for Complex Systems exhibiting Metastability
|
Mult. Mod. Sim., 5(3), pp. 802-827, 2006 |
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| Tim Conrad, Alexander Benedikt Leichtle, Andre Hagehülsmann, Elmar Diederichs, Sven Baumann, Joachim Thiery, Christof Schütte |
Beating the Noise
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Lecture Notes in Computer Science, Vol.4216, pp. 119-128, 2006 |
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| J. Walter, Christof Schütte |
Conditional Averaging for Diffusive Fast-Slow Systems
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Analysis, Modeling and Simulation of Multiscale Problems, A. Mielke (Ed.), pp. 647-682, 2006 |
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| M. Dellnitz, M. Molo, Ph. Metzner, R. Preis, Christof Schütte |
Graph Algorithms for Dynamical Systems
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Analysis, Modeling and Simulation of Multiscale Problems, A. Mielke (Ed.), pp. 619-645, 2006 |
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| Ph. Metzner, Christof Schütte, E. Vanden-Eijnden |
Illustration of Transition Path Theory on a Collection of Simple Examples
|
J. Chem. Phys., 125(8), p. 084110, 2006 |
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| E. Meerbach, E. Dittmer, Illia Horenko, Christof Schütte |
Multiscale Modelling in Molecular Dynamics
|
Computer Simulations in Condensed Matter, Mauro Ferrario, Giovanni Ciccotti, Kurt Binder (Eds.), pp. 475-497, Vol.703, Lecture Notes in Physics, 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, Vol.4216, pp. 98-115, Springer, 2006 |
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| Illia Horenko, Johannes Schmidt-Ehrenberg, Christof Schütte |
Set-oriented dimension reduction: Localizing principal component analysis via hidden Markov models
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Computational Life Sciences II: Second International Symposium CompLife 2006, Cambridge (UK), Sept. 2006, Michael R. Berthold, Robert C. Glen, Ingrid Fischer (Eds.), pp. 74-85, Vol.4216, Lecture Notes in Computer Science, 2006 |
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2005
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| Carsten Hartmann, Christof Schütte |
A Constrained Hybrid Monte-Carlo Algorithm and the Problem of Calculating the Free Energy in Several Variables
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Z. Angew. Math. Mech., 85(10), pp. 700-710, 2005 |
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| Carsten Hartmann, Christof Schütte |
A Geometric Approach to Constrained Molecular Dynamics and Free Energy
|
Comm. Math. Sci., 3(1), pp. 1-20, 2005 |
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| Illia Horenko, S. Lorenz, Christof Schütte, Wilhelm Huisinga |
Adaptive Approach for Non-Linear Sensitivity Analysis of Reaction Kinetics
|
J. Comp. Chem., 26(9), pp. 941-948, 2005 |
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| E. Meerbach, Christof Schütte, Alexander Fischer |
Eigenvalue Bounds on Restrictions of Reversible Nearly Uncoupled Markov Chains
|
Lin. Alg. Appl., Vol.398, pp. 141-160, 2005 |
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|
New Algorithms for Macromolecular Simulation
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C. Chipot, R. Elber, A. Laaksonen, Benedict Leimkuhler, A. Mark, T. Schlick, Christof Schütte, R. Skeel (Eds.), Springer, 2005 |
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| Jens Antony, Burkhard Schmidt, Christof Schütte |
Nonadiabatic Effects on Peptide Vibrational Dynamics Induced by Conformational Changes
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J. Chem. Phys., 122(1), p. 014309, 2005 |
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| Illia Horenko, E. Dittmer, Christof Schütte |
Reduced Stochastic Models for Complex Molecular Systems
|
Comp. Vis. Sci., 9(2), pp. 89-102, 2005 |
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| M. Dellnitz, M. Neumann, Christof Schütte |
Special Issue on Matrices and Mathematical Biology
|
Lin. Alg. Appl., Vol.398, pp. 1-245, 2005 |
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| Christof Schütte, R. Forster, E. Meerbach, Alexander Fischer |
Uncoupling-Coupling Techniques for Metastable Dynamical Systems
|
Domain Decomposition Methods in Science and Engineering, Ralf Kornhuber, Ronald H. W. Hoppe, J. PÃ\copyrightriaux, O. Pironneau, Olof Widlund, J. Xu (Eds.), pp. 115-129, Vol.40, Lecture Notes in Computational Science and Engineering, 2005 |
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2004
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| Christof Schütte, J. Walter, Carsten Hartmann, Wilhelm Huisinga |
An Averaging Principle for Fast Degrees of Freedom Exhibiting Long-Term Correlations
|
Multiscale Model. Simul., 2(3), pp. 501-526, 2004 |
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| J. Walter, Christof Schütte, G. Pavliotis, Andrew Stuart |
Averaging of Stochastic Differential Equations
|
preprint, 2004 |
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| R. Preis, M. Dellnitz, M. Hessel, Christof Schütte, E. Meerbach |
Dominant Paths Between Almost Invariant Sets of Dynamical Systems
|
preprint, 2004 |
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| Illia Horenko, Martin Weiser, Burkhard Schmidt, Christof Schütte |
Fully Adaptive Propagation of the Quantum-Classical Liouville Equation
|
J. Chem. Phys., 120(19), pp. 8913-8923, 2004 |
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| Peter Deuflhard, Christof Schütte |
Molecular Conformation Dynamics and Computational Drug Design
|
Applied Mathematics Entering the 21st Century, James Hill, Ross Moore (Eds.), pp. 91-119, proceedings in Applied Mathematics, 2004 (preprint available as ZIB-Report 03-20) |
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| Peter Deuflhard, Christof Schütte |
Molecular Conformation Dynamics and Computational Drug Design
|
Applied Mathematics Entering the 21st Century, James Hill, Ross Moore (Eds.), pp. 91-119, Vol.116, Proceedings in Applied Mathematics, 2004 (preprint available as ZIB-Report 03-20) |
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| Wilhelm Huisinga, S. Meyn, Christof Schütte |
Phase Transitions and Metastability in Markovian and Molecular Systems
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Ann. Appl. Prob., 14(1), pp. 419-458, 2004 |
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2003
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| Christof Schütte, Wilhelm Huisinga |
Biomolecular Conformations can be Identified as Metastable Sets of Molecular Dynamics
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Special Volume, P. Ciarlet, Claude Le Bris (Eds.), pp. 699-744, Vol.X, Handbook of Numerical Analysis, 2003 |
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| Wilhelm Huisinga, Christof Schütte, Andrew Stuart |
Extracting Macroscopic Stochastic Dynamics
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Comm. Pure Appl. Math., 56(2), pp. 234-269, 2003 |
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| Christof Schütte, Wilhelm Huisinga, S. Meyn |
Metastability of Diffusion Processes
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Nonlinear Stochastic Dynamics, N. Namachchivaya, Y. Lin (Eds.), pp. 71-81, Vol.110, Solid Mechanics and Its Applications, 2003 |
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2002
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| Alexander Fischer, Christof Schütte, Peter Deuflhard, Frank Cordes |
Hierarchical Uncoupling-Coupling of Metastable Conformations
|
Computational Methods for Macromolecules, T. Schlick, H. Gan (Eds.), pp. 235-259, Lecture Notes in Computational Science and Engineering, 2002 (preprint available as ZIB-Report 01-03) |
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| Alexander Fischer, Christof Schütte, Peter Deuflhard, Frank Cordes |
Hierarchical Uncoupling-Coupling of Metastable Conformations
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Computational Methods for Macromolecules, T. Schlick, H. Gan (Eds.), pp. 235-259, Vol.24, Lecture Notes in Computational Science and Engineering, 2002 (preprint available as ZIB-Report 01-03) |
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| Illia Horenko, Burkhard Schmidt, Christof Schütte |
Multidimensional Classical Liouville Dynamics with Quantum Initial Conditions
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J. Chem. Phys., 117(10), pp. 4643-4650, 2002 |
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| Illia Horenko, Ch. Salzmann, Burkhard Schmidt, Christof Schütte |
Quantum-Classical Liouville Approach to Molecular Dynamics
|
J. Chem. Phys., 117(24), pp. 11075-11088, 2002 |
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2001
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| Illia Horenko, Burkhard Schmidt, Christof Schütte |
A Theoretical Model for Molecules Interacting with Intense Laser Pulses
|
J. Chem. Phys., 115(13), pp. 5733-5743, 2001 |
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| Christof Schütte, Wilhelm Huisinga, Peter Deuflhard |
Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems
|
Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems, B. Fiedler (Ed.), pp. 191-223, 2001 (preprint available as ZIB-Report SC-99-36) |
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| Christof Schütte, Wilhelm Huisinga, Peter Deuflhard |
Transfer operator approach to conformational dynamics in biomolecular systems
|
Ergodic theory, analysis, and efficient simulation of dynamical systems, Bernold Fiedler (Ed.), Berlin: Springer, pp. 191-223, 2001 (preprint available as ZIB-Report SC-99-36) |
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2000
|
| Christof Schütte, Wilhelm Huisinga |
Biomolecular Conformations as Metastable Sets of Markov Chains
|
Proceedings of the 38th Annual Allerton Conference on Communication, Control, and Computing, Monticello, Illinoins/USA, R. Sreenivas, D. Jones (Eds.), pp. 1106-1115, 2000 |
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| Peter Deuflhard, Wilhelm Huisinga, Alexander Fischer, Christof Schütte |
Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains
|
Lin. Alg. Appl., Vol.315, pp. 39-59, 2000 (preprint available as ZIB-Report SC-98-03) |
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| Peter Deuflhard, Wilhelm Huisinga, Alexander Fischer, Christof Schütte |
Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains
|
Lin. Alg. Appl., 315(1-3), pp. 39-59, 2000 (preprint available as ZIB-Report SC-98-03) |
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| Christof Schütte, Wilhelm Huisinga |
On Conformational Dynamics induced by Langevin Processes
|
Equadiff 99, B. Fiedler, K. Grger, Jürgen Sprekels (Eds.), pp. 1247-1262, Vol.2, Proceedings of the International Conference on Differential Equations, 2000 (preprint available as ZIB-Report SC-99-25) |
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| Christof Schütte, Frank Cordes |
On Dynamical Transitions between Conformational Ensembles
|
Molecular Dynamics on Parallel Computers, R. Esser, P. Grassberger, J. Grotendorst, M. Lewerenz (Eds.), pp. 32-45, 2000 |
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1999
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| Christof Schütte, Alexander Fischer, Wilhelm Huisinga, Peter Deuflhard |
A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo
|
J. Comput. Phys., Vol.151, pp. 146-168, 1999 (preprint available as ZIB-Report SC-98-45) |
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| Christof Schütte, Alexander Fischer, Wilhelm Huisinga, Peter Deuflhard |
A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo
|
J. Comp. Phys, 151(1), pp. 146-168, 1999 (preprint available as ZIB-Report SC-98-45) |
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|
| Folkmar A. Bornemann, Christof Schütte |
Adaptive Accuracy Control for Car-Parrinello Simulations
|
Num. Math., 83(2), pp. 179-186, 1999 |
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|
| Christof Schütte, Folkmar A. Bornemann |
Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model
|
Computational Molecular Dynamics, Peter Deuflhard, J. Hermans, Benedict Leimkuhler, A. Marks, Sebastian Reich, R. Skeel (Eds.), pp. 380-395, Vol.4, Lecture Notes in Computational Science and Engineering, 1999 (preprint available as ZIB-Report SC-97-41) |
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| Peter Deuflhard, M. Dellnitz, Oliver Junge, Christof Schütte |
Computation of Essential Molecular Dynamics by Subdivision Techniques
|
Computational Molecular Dynamics, Peter Deuflhard, J. Hermans, Benedict Leimkuhler, A. Marks, Sebastian Reich, R. Skeel (Eds.), pp. 98-115, Vol.4, Lecture Notes in Computational Science and Engineering, 1999 |
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|
Christof Schütte
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Conformational Dynamics
|
preprint, 1999 (preprint available as ZIB-Report SC-99-18) |
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| Wilhelm Huisinga, Christoph Best, Rainer Roitzsch, Christof Schütte, Frank Cordes |
From Simulation Data to Conformational Ensembles
|
J. Comp. Chem., 20(16), pp. 1760-1774, 1999 |
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| Wilhelm Huisinga, Christoph Best, Rainer Roitzsch, Christof Schütte, Frank Cordes |
From Simulation Data to Conformational Ensembles
|
J. Comp. Chem., 20(16), pp. 1760-1774, 1999 (preprint available as ZIB-Report SC-98-36) |
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|
| Alexander Fischer, Frank Cordes, Christof Schütte |
Hybrid Monte Carlo with adaptive temperature choice
|
Comp. Phys. Comm., Vol.121, pp. 37-39, 1999 |
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| Wilhelm Huisinga, Christoph Best, Frank Cordes, Rainer Roitzsch, Christof Schütte |
Identification of Molecular Conformations via Statistical Analysis of Simulation Data
|
Comp. Chem., Vol.20, pp. 1760-1774, 1999 (preprint available as ZIB-Report SC-98-36) |
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| Peter Deuflhard, Christof Schütte, Frank Cordes, L. Müller-Kurth |
Konformationsdynamik. Mathematischer Entwurf hochspezifischer Biomoleküle
|
In: D. Hömberg (ed.), 8. Veranstaltungsreihe Forschungspolitische Dialoge in Berlin: Angewandte Mathematik - die verborgene Schlüsseltechnologie, 30. April 1999, Konrad-Zuse-Zentrum Berlin, pp. 30-34, 1999 |
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| Christof Schütte, Peter Nettesheim |
Nonadiabatic Effects in Quantum-Classical Molecular Dynamics
|
Scientific Computing in Chemical Engineering II, F. Keil, W. Mackens, H. Voss, J. Werther (Eds.), pp. 42-56, 1999 (preprint available as ZIB-Report SC-98-38) |
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| Peter Nettesheim, Christof Schütte |
Numerical Integrators for Quantum-Classical Molecular Dynamics
|
Computational Molecular Dynamics, Peter Deuflhard, J. Hermans, Benedict Leimkuhler, A. Marks, Sebastian Reich, R. Skeel (Eds.), pp. 396-411, Vol.4, Lecture Notes in Computational Science and Engineering, 1999 (preprint available as ZIB-Report SC-97-42) |
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| Folkmar A. Bornemann, Christof Schütte |
On the Singular Limit of the Quantum-Classical Molecular Dynamics Model
|
J. Appl. Math., 59(4), pp. 1208-1224, 1999 (preprint available as ZIB-Report SC-97-07) |
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|
|
Christof Schütte
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Partial Wigner transforms and the quantum-classical Liouville equation
|
Doctoral thesis, 1999 (preprint available as ZIB-Report SC-99-10) |
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|
1998
|
| Christof Schütte, Alexander Fischer, Wilhelm Huisinga, Peter Deuflhard |
A Hybrid Monte Carlo Method for Essential Molecular Dynamics
|
ZIB-Report SC-98-04 (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) |
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|
| Folkmar A. Bornemann, Christof Schütte |
A mathematical investigation of the Car-Parrinello Method
|
Num. Math., 78(3), pp. 359-376, 1998 (preprint available as ZIB-Report SC-96-19) |
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|
| Peter Deuflhard, M. Dellnitz, Oliver Junge, Christof Schütte |
Computation of essential molecular dynamics by subdivision techniques
|
Computational molecular dynamics, Peter Deuflhard (Ed.), Berlin: Springer., pp. 98-115, 1998 |
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| Alexander Fischer, Frank Cordes, Christof Schütte |
Hybrid Monte Carlo with Adaptive Temperature in Mixed–Canonical Ensemble: Efficient conformational analysis of RNA
|
J. Comp. Chem., 19(15), pp. 1689-1697, 1998 |
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| Alexander Fischer, Frank Cordes, Christof Schütte |
Hybrid Monte Carlo with adaptive temperature in mixed-canonical ensemble
|
J. Comp. Chem., 19(15), pp. 1689-1697, 1998 |
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1997
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| Christof Schütte, Folkmar A. Bornemann |
Homogenization Approach to Smoothed Molecular Dynamics
|
Nonlinear Analysis, 30(3), pp. 1805-1814, 1997 (preprint available as ZIB-Report SC-96-31) |
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|
| Folkmar A. Bornemann, Christof Schütte |
Homogenization of Hamiltonian Systems with a Strong Constraining Potential
|
Physica D, 102(1-2), pp. 57-77, 1997 |
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| Alexander Fischer, Frank Cordes, Christof Schütte |
Hybrid Monte Carlo with Adaptive Temperature in a Mixed-Canonical Ensemble: Efficient Conformational Analysis
of RNA
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ZIB-Report SC-97-67 (Appeared in: Journal of Computational Chemistry Vol. 19, No. 15 (1998) pp. 1689-1697) |
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1996
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| Folkmar A. Bornemann, Christof Schütte |
Adaptive Accuracy Control for Microcanonical Car-Parrinello Simulations
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ZIB-Report SC-96-20 (Appeared under the title: "An adaptive accuracy control of Car-Parrinello simulations" in: Numer. Math. 83 (2) 179-186 (1999)) |
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| Peter Nettesheim, Folkmar A. Bornemann, Burkhard Schmidt, Christof Schütte |
An Explicit and Symplectic Integrator for Quantum-Classical Molecular Dynamics
|
Chem. Phys. Lett., 256(6), pp. 581-588, 1996 (preprint available as ) |
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| Peter Nettesheim, Wilhelm Huisinga, Christof Schütte |
Chebyshev-Approximation for Wavepacket-Dynamics
|
preprint, 1996 (preprint available as ZIB-Report SC-96-47) |
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| Peter Deuflhard, Michael Dellnitz, Oliver Junge, Christof Schütte |
Computation of Essential Molecular Dynamics by Subdivision Techniques I: Basic Concept
|
ZIB-Report SC-96-45 (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) |
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| Folkmar A. Bornemann, Peter Nettesheim, Christof Schütte |
Quantum-classical molecular dynamics as an approximation to full quantum dynamics
|
J. Chem. Phys., 105(3), pp. 1074-1083, 1996 (preprint available as ZIB-Report SC-95-26) |
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|
1995
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| Folkmar A. Bornemann, Christof Schütte |
A Mathematical Approach to Smoothed Molecular Dynamics: Correcting Potentials for Freezing Bond Angles
|
ZIB-Report SC-95-30 (Appeared under the title ''Homogenization Approach to Smoothed Molecular Dynamics'' in: Nonlinear Analysis, Theory, Methods and Appl. 30 (1997) 1805-1814) |
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|
| Christof Schütte, Gerhard Zumbusch, Ralf Brinkmann |
Dynamics of Erbium-doped Waveguide Lasers
|
preprint, 1995 (preprint available as ZIB-Report SC-95-19) |
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| Folkmar A. Bornemann, Christof Schütte |
Homogenization of Highly Oscillatory Hamiltonian Systems
|
ZIB-Report SC-95-39 (Appeared under the title: Homogenization of Hamiltonian Systems with a Strong Constraining Potential in: Physica D 102 (1997) 57-77) |
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|
|
Christof Schütte
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Smoothed Molecular Dynamics for Thermally Embedded Systems
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1995 (preprint available as ZIB-Report SC-95-14) |
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| Christof Schütte, Manfred Dinand |
Theoretical Modeling of Relaxation Oscillations in Er-Doped Wave-Guide Lasers
|
J. Lightw. Techn., 13(1), pp. 14-23, 1995 |
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1994
|
|
Christof Schütte
|
A Quasiresonant Smoothing Algorithm for Solving Large Highly Differential Equations from Quantum Chemistry.
|
Doctoral thesis, 1994 |
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|
| Jörn Manz, G. Paramonov, M. Polasek, Christof Schütte |
Overtone State-Selective Isomerization by a Series of Picosecond Infrared Laser Pulses - Model Simulations for Be2H3D
|
Isr. J. Chem., 34(1), pp. 115-125, 1994 |
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1993
|
|
Christof Schütte
|
A Quasiresonant Smoothing Algorithm for the Fast Analysis of Selective Vibrational Excitation
|
Impact of Computing in Sci. Eng., 5(3), pp. 176-200, 1993 (preprint available as ZIB-Report SC-93-10) |
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|
| Christof Schütte, Andreas Hohmann, Manfred Dinand |
Numerical Simulation of Relaxation Oscillations of Waveguide-Lasers.
|
ZIB-Report SC-93-14 (Has been included in: Dinand, M.; Schütte, C.: Theoretical Modelling of Relaxation Oscillations in Er-doped Waveguide-Lasers. J. Lightw. Tech. 13, 1995) |
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1992
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| Christof Schütte, Michael Wulkow |
Quantum Theory with Discrete Spectra and Countable Systems of Differential Equations - A Numerical Treatment of Raman Spectroscopy.
|
preprint, 1992 (preprint available as ZIB-Report SC-92-07) |
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|
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