Dynamic Iteration Schemes
Dynamic iteration via source coupling
Standard time-integration methods solve transient problems all at once. This may become very inefficient or impossible for large systems of equations. Imaging that such large systems often stem from a coupled problem formulation, where different physical phenomena interact and need to be coupled in order to produce a precise mathematical model.
E.g. highly integrated electric circuits (as in memory chips or CPUs) produce heat, which effects in turn their behavior as electrical system; thus one needs to couple electric and thermal subproblem descriptions. On the one hand, this creates multiple time scales due to different physical phenomena, which demands an efficient treatment, see multirate. On the other hand, in a professional environment one usually has dedicated solvers for the subproblems, which need to be used, and an overall problem formulation is not feasible for any of the involved tools.
For those partitioned problems a dynamic iteration method becomes beneficial or even the sole way-out: it keeps the subproblems separate, solves subproblems sequentially (or in parallel) and iterates until convergence (fixed-point interation). Thus the subproblem's structure can be exploited in the respective integration.
To guarantee or to speed up convergence the time interval of interest is split into a series of windows. Then the time-integration of the windows is applied sequentially and in each window the subproblems are solved iteratively by your favoured method.
Group members working on that field
- Andreas Bartel
- Michael Günther
Former and ongoing Projects
Cooperation
- Herbert De Gersem, Katholieke Universiteit Leuven
Publications
- 2025
5543.
[German] Tausch, Michael W.
Zyklische Chemie mit Lichtantrieb
Nachrichten aus der Chemie, 73 (10) :13-16
September 20255542.
[German] Ponath, Jonas; Pollmeier, Pascal; Fechner, Sabine; Grandrath, Rebecca; Bohrmann-Linde, Claudia; Weiser, David; Ditter, David; Ditter, Rebekka; Siepmann, Karin; Cornelius, Soraya; Rubner, Isabel; Hoffmann, Adrian; Sommer, Katrin
Kurzdarstellungen und (Teil-) Ergebnisse der ComeNets: 12. ComeNet Chemie
Kapitel Teil II Kurzdarstellungen und (Teil-) Ergebnisse der ComeNets: 12. ComeNet Chemie
September 20255541.
Tausch, Michael W.
Chemie mit Licht - Innovative Didaktik für Studium und Lehre, 2. Aufl. BNE., Ergänzung Kap. 8: Nachhaltigkeit mit Licht für Leben und Technik
Herausgeber: Springer Nature Verlag, Heidelberg, Berlin
September 2025ISBN: 978-3-662-71188-0
5540.
Blank, Kerstin G.; Göstl, Robert
Moving mechanochemistry forward: programming force-induced responses into macromolecular systems
RSC Mechanochemistry, 2 (5) :627-630
September 2025
ISSN: 2976-86835539.
[English] Tausch, Michael W.
Solstice in STEM Education – Cyclic Chemistry Driven by Light
World Journal of Chemical Education, 13 (3) :54-59
August 20255538.
[german] Grandrath, Rebecca; Zeller, Diana; Cornelius, Soraya; Bohrmann-Linde, Claudia
Fortbildungsreihe der Chemiedidaktik Wuppertal im ComeMINT-Projekt
In van Vorst, Helena: Entdecken, lehren und forschen im Schülerlabor. Gesellschaft für Didaktik der Chemie und Physik., Editor, Entdecken, lehren und forschen im Schülerlabor. Gesellschaft für Didaktik der Chemie und Physik. Jahrestagung in Bochum 2024.
Seite 900-903
Juli 2025
900-9035537.
[german] Zeller, Diana; Frohne, Thorben; Bohrmann-Linde, Claudia; Mack, Nils; Schrader, Claudia
VR-Lernsetting zu Verbrennungen: Erkundung der Teilchenebene in 3D
In van Vorst, Helena, Editor, Entdecken, lehren und forschen im Schülerlabor. Gesellschaft für Didaktik der Chemie und Physik. Band 45
Seite 573-576
Juli 2025
573-5765536.
Fan, Jilin; Lennarz, Regina; Zhang, Kuan; Mourran, Ahmed; Meisner, Jan; Xuan, Mingjun; Göstl, Robert; Herrmann, Andreas
Polymer microbubbles as universal platform to accelerate polymer mechanochemistry
Nature Communications, 16 (1) :5380
Juni 2025
ISSN: 2041-17235535.
Zschau, Timo; Bensberg, Kathrin; Meysing, Cedric; Lamuadni, Nofisa; Gómez-Suárez, Adrián; Kirsch, S. F.
Upcycling Food Waste: Ursolic Acid as Sustainable Feedstock
European Journal of Organic Chemistry
Juni 2025
ISSN: 1099-06905534.
Dömling, Adrian; Klein, Dominik; Manoharan, Sgaana; Mohr, Fabian
Structural variety in coinage metal complexes containing thiourea-derivatives
Chemistry Letters, 54 (7) :upaf116
Juni 2025
ISSN: 1348-07155533.
Govaerts, Sebastian; Mayer-Figge, Jan Lukas; Chotia, Mohit; Kirsch, S. F.; Gómez-Suárez, Adrián
Synthesis and Nucleophilic Ring-Opening of 1,1-Dicyanocyclopropanes: Accessing β-Aminocarbonyl Derivatives from Olefins
Organic Letters, 27 :5549-5554
Mai 2025
Herausgeber: ACS
ISSN: 1523-70525532.
Xu, Zhuo
Input-to-state type Stability for Simplified Fluid-Particle Interaction System
Mai 20255531.
Asya, Berçin V.; Wang, Sitao; Euchler, Eric; Khiêm, Vu Ngoc; Göstl, Robert
Optical Force Probes for Spatially Resolved Imaging of Polymer Damage and Failure
Aggregate, 6 (4) :e70014
April 2025
ISSN: 2692-45605530.
Hahmann, Johannes; Schüpp, Boris N.; Ishaqat, Aman; Selvakumar, Arjuna; Göstl, Robert; Gräter, Frauke; Herrmann, Andreas
Sequence-specific, mechanophore-free mechanochemistry of DNA
Chem, 11 (4) :102376
April 2025
ISSN: 2451-9294, 2451-93085529.
Rajkovic, Michelle; Benter, Thorsten; Wissdorf, Walter
Investigation of Surface-Induced Dissociation Processes via Molecular Dynamics Simulations of Wall Collisions of Large Droplets Produced by Electrospray Ionization
Journal of the American Society for Mass Spectrometry, 36 (4) :760—770
April 2025
ISSN: 1044-0305, 1879-11235528.
Ocqueteau, Vicente; Tucsnak, Marius
On an Initial Value Problem Describing the Small Oscillations of a Floating Cylinder
April 20255527.
Heintz, Chris; Kersten, Hendrik; Benter, Thorsten; Wissdorf, Walter
Signatures of Charged Droplets from ESI: A Statistical Analysis of Non-summed Mass Spectra Compared to APCI
Journal of the American Society for Mass Spectrometry, 36 (4) :839—849
April 2025
ISSN: 1044-0305, 1879-11235526.
Kiesling, Elisabeth
Unterrichtsmaterial Kreislaufwirtschaft - Den Kreislauf in Schwung bringen: Arbeitsblatt: 2.4 Carbon Capture and Stoage und Experiment: 2.5 Modellversuch zur Speicherung von Kohlenstoffdioxid in Kohleflözen
In Dr. Karl Hübner, Prof. Dr. Bernd Ralle, Editor
Herausgeber: Fonds der Chemischen Industrie im Verband der Chemischen Industrie e. V. (FCI)
April 20255525.
Bensberg, Kathrin; Gómez-Suárez, Adrián; Kirsch, S. F.
Solid-Supported Iodine(V) Reagents in Organic Synthesis
Chemistry - A European Journal, 31 :e202500670
März 2025
Herausgeber: Wiley
ISSN: 1521-37655524.
[german] Grandrath, Rebecca; Wiebel, Michelle; Bensberg, Kathrin; Schebb, Nils Helge; Kirsch, Stefan F.; Bohrmann-Linde, Claudia
Aus der Schale in die Schule
Nachrichten aus der Chemie, 73 (3) :10-12
März 20255523.
Storch, Sonja; Campagna, Davide; Aydonat, Simay; Göstl, Robert
Mechanochemical generation of nitrogen-centred radicals for the formation of tertiary amines in polymers
RSC Mechanochemistry, 2 (2) :240-245
März 20255522.
Grandrath, Rebecca; Wiebel, Michelle; Bensberg, Kathrin; Schebb, Nils Helge; Kirsch, S. F.; Bohrmann-Linde, Claudia
Aus der Schale in die Schule
Nachrichten aus der Chemie, 73 :10-12
Februar 2025
Herausgeber: Wiley
ISSN: 1868-00545521.
Xue, Chaoyang; Chen, Hui; McGillen, Max R.; Su, Hang; Cheng, Yafang; Kleffmann, Jörg; Li, Guo; Cazaunau, Mathieu; Colomb, Aurélie; Sciare, Jean; DeWitt, Langley; Marchand, Nicolas; Sarda-Esteve, Roland; Petit, Jean-Eudes; Kukui, Alexandre
Role of Heterogeneous Reactions in the Atmospheric Oxidizing Capacity in Island Environments
Environmental Science & Technology, 59 (6) :3153—3164
Februar 2025
ISSN: 0013-936X, 1520-58515520.
Liu, Qian; Yanchang, Zhang; Zuan, Wang; Wang, Miao; Zhao, Xiaowei
Small-signal stability of sequence-decomposed grid-forming IBRs with DC-link voltage dynamics
Februar 20255519.
Cornelius, Soraya
„Erklärvideos erklären“- Entwicklung und Erprobung eines interaktiven und digitalen Selbstlernbuchs zum schrittweisen Kompetenzerwerb für die Erklärvideoproduktion im Chemieunterricht (explorative Studie)
2025