C04 Mathematical analysis of domain decomposition methods for the efficient solution of continuum solvation models
A new numerical simulation approach has been introduced for different continuum solvation models in computational chemistry that is based on a specific variant of the Schwarz domain decomposition method. While it is widely used in computational chemistry and shows very robust behavior, its mathematical analysis is a challenge. This project deals with such an analysis of the ddCOSMO-method and, in particular, the discretisation accuracy, rate of convergence and computational complexity of this method will be analyzed.
Project Leaders
- Prof. Dr. Arnold Reusken
- RWTH Aachen University
- more information
- +49 241 80 97972
- reusken@igpm.rwth-aachen.de
- homepage
- Prof. Dr. Benjamin Stamm
- University of Stuttgart
- more information
- +49 711 685 62040
- best@ians.uni-stuttgart.de
- homepage
Postdoctoral Researcher
- Dr. Nibedita Ghosh
- RWTH Aachen University
- more information
- +49 241 80 93073
- ghosh@igpm.rwth-aachen.de
- homepage