@article{DierkesRoeblitzWadeetal.2013, author = {Dierkes, Thomas and R{\"o}blitz, Susanna and Wade, Moritz and Deuflhard, Peter}, title = {Parameter identification in large kinetic networks with BioPARKIN}, series = {CoRR - Computing Research Repository - arXiv.org}, volume = {abs/1303.4928}, journal = {CoRR - Computing Research Repository - arXiv.org}, year = {2013}, language = {en} } @misc{DeuflhardErdmannRoitzschetal., author = {Deuflhard, Peter and Erdmann, Bodo and Roitzsch, Rainer and Lines, Glenn Terje}, title = {Adaptive Finite Element Simulation of Ventricular Fibrillation Dynamics}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-9431}, number = {06-49}, abstract = {The dynamics of ventricular fibrillation caused by irregular excitation is simulated in the frame of the monodomain model with an action potential model due to Aliev-Panfilov for a human 3D geometry. The numerical solution of this multiscale reaction-diffusion problem is attacked by algorithms which are fully adaptive in both space and time (code library {\sc Kardos}). The obtained results clearly demonstrate an accurate resolution of the cardiac potential during the excitation and the plateau phases (in the regular cycle) as well as after a reentrant excitation (in the irregular cycle).}, language = {en} } @misc{DeuflhardHege, author = {Deuflhard, Peter and Hege, Hans-Christian}, title = {Die Vision einer individuellen quantitativen Medizin}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-8805}, number = {05-47}, abstract = {Die Autoren schreiben dieses Papier aus der eingeschr{\"a}nkten Sicht der Mathematik und der Informationstechnik. Um den speziellen Beitrag dieser Disziplinen {\"u}berhaupt diskutieren zu k{\"o}nnen, sehen wir uns jedoch gezwungen, einen Rahmen abzustecken, den wir f{\"u}r das Jahr 2020 vorhersehen -- nach Wahrscheinlichkeit und aus unserem engeren fachlichen Blickwinkel. Vorab bitten wir schon einmal bei den medizinischen Fachleuten um Nachsicht, wenn wir uns in ihrem Revier allzu dillettantisch bewegen. Vielleicht f{\"o}rdert aber auch unser eingeschr{\"a}nkter Blickwinkel ansonsten unbedachte Aspekte zutage -- das hoffen wir zumindest.}, language = {de} } @misc{DeuflhardKleinReinefeldetal., author = {Deuflhard, Peter and Klein, Rupert and Reinefeld, Alexander and St{\"u}ben, Hinnerk}, title = {Power-User und Supercomputer}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-4070}, number = {SC-99-19}, abstract = {Abstract-Sammlung zum gleichnamigen Workshop am ZIB vom 19.--20. Mai 1999}, language = {de} } @inproceedings{NettesheimSchuette1999, author = {Nettesheim, Peter and Sch{\"u}tte, Christof}, title = {Numerical Integrators for Quantum-Classical Molecular Dynamics}, series = {Computational Molecular Dynamics}, volume = {4}, booktitle = {Computational Molecular Dynamics}, editor = {Deuflhard, Peter and Hermans, J. and Leimkuhler, Benedict and Marks, A. and Reich, Sebastian and Skeel, R.}, publisher = {Springer}, pages = {396 -- 411}, year = {1999}, language = {en} } @inproceedings{SchuetteBornemann1999, author = {Sch{\"u}tte, Christof and Bornemann, Folkmar A.}, title = {Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model}, series = {Computational Molecular Dynamics}, volume = {4}, booktitle = {Computational Molecular Dynamics}, editor = {Deuflhard, Peter and Hermans, J. and Leimkuhler, Benedict and Marks, A. and Reich, Sebastian and Skeel, R.}, publisher = {Springer}, pages = {380 -- 395}, year = {1999}, language = {en} } @article{SchuetteFischerHuisingaetal.1999, author = {Sch{\"u}tte, Christof and Fischer, Alexander and Huisinga, Wilhelm and Deuflhard, Peter}, title = {A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo}, series = {J. Comp. Phys}, volume = {151}, journal = {J. Comp. Phys}, number = {1}, doi = {10.1006/jcph.1999.6231}, pages = {146 -- 168}, year = {1999}, language = {en} } @inproceedings{FischerSchuetteDeuflhardetal.2002, author = {Fischer, Alexander and Sch{\"u}tte, Christof and Deuflhard, Peter and Cordes, Frank}, title = {Hierarchical Uncoupling-Coupling of Metastable Conformations}, series = {Computational Methods for Macromolecules}, volume = {24}, booktitle = {Computational Methods for Macromolecules}, editor = {Schlick, T. and Gan, H.}, publisher = {Springer}, pages = {235 -- 259}, year = {2002}, language = {en} } @article{DeuflhardHuisingaFischeretal.2000, author = {Deuflhard, Peter and Huisinga, Wilhelm and Fischer, Alexander and Sch{\"u}tte, Christof}, title = {Identification of Almost Invariant Aggregates in Reversible Nearly Uncoupled Markov Chains}, series = {Lin. Alg. Appl.}, volume = {315}, journal = {Lin. Alg. Appl.}, number = {1-3}, doi = {10.1016/S0024-3795(00)00095-1}, pages = {39 -- 59}, year = {2000}, language = {en} } @inproceedings{SchuetteHuisingaDeuflhard2001, author = {Sch{\"u}tte, Christof and Huisinga, Wilhelm and Deuflhard, Peter}, title = {Transfer Operator Approach to Conformational Dynamics in Biomolecular Systems}, series = {Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems}, booktitle = {Ergodic Theory, Analysis, and Efficient Simulation of Dynamical Systems}, editor = {Fiedler, B.}, publisher = {Springer}, pages = {191 -- 223}, year = {2001}, language = {en} } @inproceedings{DeuflhardSchuette2004, author = {Deuflhard, Peter and Sch{\"u}tte, Christof}, title = {Molecular Conformation Dynamics and Computational Drug Design}, series = {Applied Mathematics Entering the 21st Century}, volume = {116}, booktitle = {Applied Mathematics Entering the 21st Century}, editor = {Hill, James and Moore, Ross}, publisher = {SIAM}, pages = {91 -- 119}, year = {2004}, language = {en} } @inproceedings{DeuflhardSeebass1998, author = {Deuflhard, Peter and Seebaß, Martin}, title = {Adaptive Multilevel FEM as Decisive Tools in the Clinical Cancer Therapy Hyerthermia}, series = {Proc. Eleventh International Conference on Domain Decomposition Methods in Sciences and Engineering}, booktitle = {Proc. Eleventh International Conference on Domain Decomposition Methods in Sciences and Engineering}, editor = {Lai, Choi-Hong and Bjorstad, Petter and Cross, Mark and Widlund, Olof}, address = {Greenwich, UK}, pages = {410 -- 421}, year = {1998}, language = {en} } @incollection{DeuflhardWeiser1997, author = {Deuflhard, Peter and Weiser, Martin}, title = {Local inexact Newton multilevel FEM for nonlinear elliptic problems}, series = {Computational science for the 21st century}, booktitle = {Computational science for the 21st century}, editor = {et al. Bristeau, M.-O.}, publisher = {Chichester: John Wiley \& Sons.}, pages = {129 -- 138}, year = {1997}, language = {en} }