Schwerpunktkolloquium Analysis und Numerik: Numerical methods in continuum solvation models
Wann
Donnerstag, 22. November 2018
17 bis 18:30 Uhr
Wo
F 426
Veranstaltet von
Vortragende Person/Vortragende Personen:
Prof. Dr. Benjamin Stamm (Department of Mathematics RWTH Aachen University)
Diese Veranstaltung ist Teil der Veranstaltungsreihe „Schwerpunktkolloquium Analysis und Numerik“.
Abstract: In this talk, we will present numerical methods to efficiently discretize a family of PDEs arising in the computation of solvation energies raising from continuum solvation models. After giving an introduction to the context of theoretical chemistry we will discuss the challenges of numerical schemes for such problems. We will continue with introducing a family of numerical methods based on a domain decomposition strategy in combination of integral equations and illustrate numerical tests analysing the performance of the methods.